Pipratecol

CAT: 0013-GTR19193096-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19193096-02Size:50 mg

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Description

Pipratecol

CAS Number

15534-05-1

Smiles

O (C) C1=C (C=CC=C1) N2CCN (CC (O) C3=CC (O) =C (O) C=C3) CC2

Molecular Formula

C19H24N2O4

Molecular Weight

344.4

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

4-(1-Hydroxy-2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-1,2-benzenediol

RN given refers to parent cpd; structure

CAS Number	15534-05-1
PubChem CID	71684
IUPAC Name	4-[1-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzene-1,2-diol
Molecular Formula	C19H24N2O4
Molecular Weight	344.4
XLogP	2
Topological Polar Surface Area	76.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	403

SMILES

COC1=CC=CC=C1N2CCN(CC2)CC(C3=CC(=C(C=C3)O)O)O

InChI

InChI=1S/C19H24N2O4/c1-25-19-5-3-2-4-15(19)21-10-8-20(9-11-21)13-18(24)14-6-7-16(22)17(23)12-14/h2-7,12,18,22-24H,8-11,13H2,1H3

InChIKey

QESTYTNSJJTQCI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 15534-05-1

CID: 71684

Formula: C19H24N2O4

MW: 344.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	344.4
XLogP3	2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	344.17360725
Monoisotopic Mass	344.17360725
Topological Polar Surface Area	76.4 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	403
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
T34073-01	Pipratecol