3-(3-bromophenyl)-4-cyclopropylpiperidine

C14H18BrN — CID 79432038

IUPAC3-(3-bromophenyl)-4-cyclopropylpiperidine
SMILESBrc1cccc(C2CNCCC2C2CC2)c1
InChIInChI=1S/C14H18BrN/c15-12-3-1-2-11(8-12)14-9-16-7-6-13(14)10-4-5-10/h1-3,8,10,13-14,16H,4-7,9H2
InChIKeyVMPXJCDHXPFCRZ-UHFFFAOYSA-N
MW280.21 g/mol
LogP3.55
Rot. Bonds2

About 3-(3-bromophenyl)-4-cyclopropylpiperidine

3-(3-bromophenyl)-4-cyclopropylpiperidine (PubChem CID 79432038) has the molecular formula C14H18BrN and a molecular weight of 280.21 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-cyclopropylpiperidine.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-cyclopropylpiperidine
PubChem CID79432038
Molecular FormulaC14H18BrN
Molecular Weight280.21 g/mol
Exact Mass279.06
IUPAC Name3-(3-bromophenyl)-4-cyclopropylpiperidine
SMILESBrc1cccc(C2CNCCC2C2CC2)c1
InChIInChI=1S/C14H18BrN/c15-12-3-1-2-11(8-12)14-9-16-7-6-13(14)10-4-5-10/h1-3,8,10,13-14,16H,4-7,9H2
InChIKeyVMPXJCDHXPFCRZ-UHFFFAOYSA-N
XLogP3.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-bromophenyl)-4-cyclopropylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-bromophenyl)-3-(3-methylphenyl)piperidine
CID 79441754
4-(3-bromophenyl)-3-fluoropiperidine
CID 105426889
3-(3-chlorophenyl)-4-cyclopentylpiperidine
CID 79431788
3-(3-bromophenyl)-4-(3,4-dichlorophenyl)piperidine
CID 79430909
3-(3-bromophenyl)-4-(3,5-dimethylphenyl)piperidine
CID 79429992
3-(4-bromophenyl)-4-cyclopentylpiperidine
CID 79434969
3-(3-bromophenyl)-4-(2-chlorophenyl)piperidine
CID 79430057
3-(3-bromophenyl)-4-(2,5-dimethylphenyl)piperidine
CID 79430904
4-(3-bromophenyl)-3-(2-methylpropyl)piperidine
CID 79321198
3-(3-bromophenyl)-4-(2-ethylphenyl)piperidine
CID 79431218
3-(3-bromophenyl)-4-(2,5-dimethylthiophen-3-yl)piperidine
CID 79433028
4-(3-bromophenyl)piperidine;hydrochloride
CID 46735221

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-4-cyclopropylpiperidine?
The IUPAC name of 3-(3-bromophenyl)-4-cyclopropylpiperidine (CID 79432038) is 3-(3-bromophenyl)-4-cyclopropylpiperidine.
What is the SMILES notation for 3-(3-bromophenyl)-4-cyclopropylpiperidine?
The canonical SMILES for 3-(3-bromophenyl)-4-cyclopropylpiperidine is Brc1cccc(C2CNCCC2C2CC2)c1.
What is the InChIKey of 3-(3-bromophenyl)-4-cyclopropylpiperidine?
The InChIKey is VMPXJCDHXPFCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN/c15-12-3-1-2-11(8-12)14-9-16-7-6-13(14)10-4-5-10/h1-3,8,10,13-14,16H,4-7,9H2.
What are the key properties of 3-(3-bromophenyl)-4-cyclopropylpiperidine?
3-(3-bromophenyl)-4-cyclopropylpiperidine has a molecular weight of 280.21 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4-cyclopropylpiperidine is sourced from PubChem (CID 79432038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).