1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride

C17H27Cl2NO — CID 11551689

IUPAC1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(CCCOCCCN2CCCCC2)cc1
InChIInChI=1S/C17H26ClNO.ClH/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19;/h7-10H,1-6,11-15H2;1H
InChIKeyXLFKECRRMPOAQS-UHFFFAOYSA-N
MW332.31 g/mol
LogP4.59
Rot. Bonds8

About 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride

1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride (PubChem CID 11551689) has the molecular formula C17H27Cl2NO and a molecular weight of 332.31 g/mol. Its IUPAC name is 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride
PubChem CID11551689
Molecular FormulaC17H27Cl2NO
Molecular Weight332.31 g/mol
Exact Mass331.15
IUPAC Name1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride
SMILESCl.Clc1ccc(CCCOCCCN2CCCCC2)cc1
InChIInChI=1S/C17H26ClNO.ClH/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19;/h7-10H,1-6,11-15H2;1H
InChIKeyXLFKECRRMPOAQS-UHFFFAOYSA-N
XLogP4.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride?
The IUPAC name of 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride (CID 11551689) is 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride?
The canonical SMILES for 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride is Cl.Clc1ccc(CCCOCCCN2CCCCC2)cc1.
What is the InChIKey of 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride?
The InChIKey is XLFKECRRMPOAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO.ClH/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19;/h7-10H,1-6,11-15H2;1H.
What are the key properties of 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride?
1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride has a molecular weight of 332.31 g/mol, XLogP of 4.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine;hydrochloride is sourced from PubChem (CID 11551689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).