1-[3-(4-chlorophenyl)propoxy]piperidine

C14H20ClNO — CID 23081468

IUPAC1-[3-(4-chlorophenyl)propoxy]piperidine
SMILESClc1ccc(CCCON2CCCCC2)cc1
InChIInChI=1S/C14H20ClNO/c15-14-8-6-13(7-9-14)5-4-12-17-16-10-2-1-3-11-16/h6-9H,1-5,10-12H2
InChIKeyMNIAZMKCJBHNTO-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.69
Rot. Bonds5

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

1-[3-(4-chlorophenyl)propoxy]piperidine (PubChem CID 23081468) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)propoxy]piperidine.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)propoxy]piperidine
PubChem CID23081468
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-[3-(4-chlorophenyl)propoxy]piperidine
SMILESClc1ccc(CCCON2CCCCC2)cc1
InChIInChI=1S/C14H20ClNO/c15-14-8-6-13(7-9-14)5-4-12-17-16-10-2-1-3-11-16/h6-9H,1-5,10-12H2
InChIKeyMNIAZMKCJBHNTO-UHFFFAOYSA-N
XLogP3.69
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.69
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-(4-chlorophenyl)propoxy]piperidine?
The IUPAC name of 1-[3-(4-chlorophenyl)propoxy]piperidine (CID 23081468) is 1-[3-(4-chlorophenyl)propoxy]piperidine.
What is the SMILES notation for 1-[3-(4-chlorophenyl)propoxy]piperidine?
The canonical SMILES for 1-[3-(4-chlorophenyl)propoxy]piperidine is Clc1ccc(CCCON2CCCCC2)cc1.
What is the InChIKey of 1-[3-(4-chlorophenyl)propoxy]piperidine?
The InChIKey is MNIAZMKCJBHNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c15-14-8-6-13(7-9-14)5-4-12-17-16-10-2-1-3-11-16/h6-9H,1-5,10-12H2.
What are the key properties of 1-[3-(4-chlorophenyl)propoxy]piperidine?
1-[3-(4-chlorophenyl)propoxy]piperidine has a molecular weight of 253.77 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)propoxy]piperidine is sourced from PubChem (CID 23081468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).