3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine

C17H17BrClN — CID 79455204

IUPAC3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine
SMILESClc1cccc(C2CCNCC2c2ccccc2Br)c1
InChIInChI=1S/C17H17BrClN/c18-17-7-2-1-6-15(17)16-11-20-9-8-14(16)12-4-3-5-13(19)10-12/h1-7,10,14,16,20H,8-9,11H2
InChIKeySFZSAPXRMOGACS-UHFFFAOYSA-N
MW350.69 g/mol
LogP4.96
Rot. Bonds2

About 3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine

3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine (PubChem CID 79455204) has the molecular formula C17H17BrClN and a molecular weight of 350.69 g/mol. Its IUPAC name is 3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine.

Molecular Properties

Compound Name3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine
PubChem CID79455204
Molecular FormulaC17H17BrClN
Molecular Weight350.69 g/mol
Exact Mass349.02
IUPAC Name3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine
SMILESClc1cccc(C2CCNCC2c2ccccc2Br)c1
InChIInChI=1S/C17H17BrClN/c18-17-7-2-1-6-15(17)16-11-20-9-8-14(16)12-4-3-5-13(19)10-12/h1-7,10,14,16,20H,8-9,11H2
InChIKeySFZSAPXRMOGACS-UHFFFAOYSA-N
XLogP4.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.69
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine?
The IUPAC name of 3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine (CID 79455204) is 3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine.
What is the SMILES notation for 3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine?
The canonical SMILES for 3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine is Clc1cccc(C2CCNCC2c2ccccc2Br)c1.
What is the InChIKey of 3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine?
The InChIKey is SFZSAPXRMOGACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN/c18-17-7-2-1-6-15(17)16-11-20-9-8-14(16)12-4-3-5-13(19)10-12/h1-7,10,14,16,20H,8-9,11H2.
What are the key properties of 3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine?
3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine has a molecular weight of 350.69 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-4-(3-chlorophenyl)piperidine is sourced from PubChem (CID 79455204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).