1-[4-(3-chlorophenoxy)butyl]piperidine

C15H22ClNO — CID 2057691

IUPAC1-[4-(3-chlorophenoxy)butyl]piperidine
SMILESClc1cccc(OCCCCN2CCCCC2)c1
InChIInChI=1S/C15H22ClNO/c16-14-7-6-8-15(13-14)18-12-5-4-11-17-9-2-1-3-10-17/h6-8,13H,1-5,9-12H2
InChIKeyFDEXZUQUIVMUEQ-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.98
Rot. Bonds6

About 1-[4-(3-chlorophenoxy)butyl]piperidine

1-[4-(3-chlorophenoxy)butyl]piperidine (PubChem CID 2057691) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[4-(3-chlorophenoxy)butyl]piperidine.

Molecular Properties

Compound Name1-[4-(3-chlorophenoxy)butyl]piperidine
PubChem CID2057691
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-[4-(3-chlorophenoxy)butyl]piperidine
SMILESClc1cccc(OCCCCN2CCCCC2)c1
InChIInChI=1S/C15H22ClNO/c16-14-7-6-8-15(13-14)18-12-5-4-11-17-9-2-1-3-10-17/h6-8,13H,1-5,9-12H2
InChIKeyFDEXZUQUIVMUEQ-UHFFFAOYSA-N
XLogP3.98
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.98
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-[4-(3-chlorophenoxy)butyl]piperidine?
The IUPAC name of 1-[4-(3-chlorophenoxy)butyl]piperidine (CID 2057691) is 1-[4-(3-chlorophenoxy)butyl]piperidine.
What is the SMILES notation for 1-[4-(3-chlorophenoxy)butyl]piperidine?
The canonical SMILES for 1-[4-(3-chlorophenoxy)butyl]piperidine is Clc1cccc(OCCCCN2CCCCC2)c1.
What is the InChIKey of 1-[4-(3-chlorophenoxy)butyl]piperidine?
The InChIKey is FDEXZUQUIVMUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c16-14-7-6-8-15(13-14)18-12-5-4-11-17-9-2-1-3-10-17/h6-8,13H,1-5,9-12H2.
What are the key properties of 1-[4-(3-chlorophenoxy)butyl]piperidine?
1-[4-(3-chlorophenoxy)butyl]piperidine has a molecular weight of 267.80 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenoxy)butyl]piperidine is sourced from PubChem (CID 2057691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).