UNC-926

CAT: 0926-JXB13610-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-JXB13610-01Size:50 mg

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CAS Number

1184136-10-4

MDL Number

MFCD23098916

Smiles

C1CCN (C1) C2CCN (CC2) C (=O) C3=CC (=CC=C3) Br

Molecular Formula

C16H21BrN2O

Molecular Weight

337.25 g/mol

Controlled

Chemical Information

(3-Bromophenyl)(4-(pyrrolidin-1-yl)piperidin-1-yl)methanone

CAS Number	1184136-10-4
PubChem CID	61041645
IUPAC Name	(3-bromophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
Molecular Formula	C16H21BrN2O
Molecular Weight	337.25
XLogP	3.2
Topological Polar Surface Area	23.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	335

SMILES

C1CCN(C1)C2CCN(CC2)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C16H21BrN2O/c17-14-5-3-4-13(12-14)16(20)19-10-6-15(7-11-19)18-8-1-2-9-18/h3-5,12,15H,1-2,6-11H2

InChIKey

OWGLFIKZKQOYHZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1184136-10-4

CID: 61041645

Formula: C16H21BrN2O

MW: 337.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	337.25
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	336.08373
Monoisotopic Mass	336.08373
Topological Polar Surface Area	23.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	335
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