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

C14H19Cl2N — CID 142645631

IUPAC2-(2-chlorophenyl)-4-(3-chloropropyl)piperidine
SMILESClCCCC1CCNC(c2ccccc2Cl)C1
InChIInChI=1S/C14H19Cl2N/c15-8-3-4-11-7-9-17-14(10-11)12-5-1-2-6-13(12)16/h1-2,5-6,11,14,17H,3-4,7-10H2
InChIKeyGGZHUHILZOXMDR-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.40
Rot. Bonds4

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

2-(2-chlorophenyl)-4-(3-chloropropyl)piperidine (PubChem CID 142645631) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(3-chloropropyl)piperidine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(3-chloropropyl)piperidine
PubChem CID142645631
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name2-(2-chlorophenyl)-4-(3-chloropropyl)piperidine
SMILESClCCCC1CCNC(c2ccccc2Cl)C1
InChIInChI=1S/C14H19Cl2N/c15-8-3-4-11-7-9-17-14(10-11)12-5-1-2-6-13(12)16/h1-2,5-6,11,14,17H,3-4,7-10H2
InChIKeyGGZHUHILZOXMDR-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(3-chloropropyl)piperidine?
The IUPAC name of 2-(2-chlorophenyl)-4-(3-chloropropyl)piperidine (CID 142645631) is 2-(2-chlorophenyl)-4-(3-chloropropyl)piperidine.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(3-chloropropyl)piperidine?
The canonical SMILES for 2-(2-chlorophenyl)-4-(3-chloropropyl)piperidine is ClCCCC1CCNC(c2ccccc2Cl)C1.
What is the InChIKey of 2-(2-chlorophenyl)-4-(3-chloropropyl)piperidine?
The InChIKey is GGZHUHILZOXMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c15-8-3-4-11-7-9-17-14(10-11)12-5-1-2-6-13(12)16/h1-2,5-6,11,14,17H,3-4,7-10H2.
What are the key properties of 2-(2-chlorophenyl)-4-(3-chloropropyl)piperidine?
2-(2-chlorophenyl)-4-(3-chloropropyl)piperidine has a molecular weight of 272.22 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(3-chloropropyl)piperidine is sourced from PubChem (CID 142645631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).