Compound PDK0400

CAT: 0931-PDK0400-02Size: 5 gDry Ice: NoHazardous: No

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CAT#:0931-PDK0400-02Size:5 g

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CAS Number

92-54-6

Bioactivity

Compound PDK0400, with CAS No. 92-54-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0400 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.

Smiles

C1CN(CCN1)C1=CC=CC=C1

Molecular Formula

C10H14N2

Molecular Weight

162.23

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

1-Phenylpiperazine

RN given refers to parent cpd

CAS Number	92-54-6
PubChem CID	7096
IUPAC Name	1-phenylpiperazine
Molecular Formula	C10H14N2
Molecular Weight	162.23
XLogP	1.1
Topological Polar Surface Area	15.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	124

SMILES

C1CN(CCN1)C2=CC=CC=C2

InChI

InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2

InChIKey

YZTJYBJCZXZGCT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 92-54-6

CID: 7096

Formula: C10H14N2

MW: 162.23

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	162.23
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	162.115698455
Monoisotopic Mass	162.115698455
Topological Polar Surface Area	15.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	124
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
PDK0410-01	Compound PDK0410
PDK0100-01	Compound PDK0100
PDK0040-01	Compound PDK0040
PDK0406-01	Compound PDK0406
PDK0300-01	Compound PDK0300
PDK0408-01	Compound PDK0408
PDK0409-01	Compound PDK0409
PDK0405-01	Compound PDK0405
PDK0402-01	Compound PDK0402
PDK0413-01	Compound PDK0413

Alternative Products

Catalog	Name
ALX-550-516-M025	Compound A
XXC35825-01	Compound 3a
HY-14176-01	Compound E
255023-01	Compound 401
HY-U00358	Compound 2
1898-200	Compound 34
2573-5	Compound 112254
MBS3613444-01	Compound W
MBS3613725-01	Compound 3344
MBS3613756-01	Compound 23

Compound PDK0400

Chemical Information

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Alternative Products

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