4-[2-(3-chlorophenoxy)phenyl]piperidine

C17H18ClNO — CID 45483512

IUPAC4-[2-(3-chlorophenoxy)phenyl]piperidine
SMILESClc1cccc(Oc2ccccc2C2CCNCC2)c1
InChIInChI=1S/C17H18ClNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2
InChIKeyQHHWSRAVBLCPAI-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.60
Rot. Bonds3

About 4-[2-(3-chlorophenoxy)phenyl]piperidine

4-[2-(3-chlorophenoxy)phenyl]piperidine (PubChem CID 45483512) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-[2-(3-chlorophenoxy)phenyl]piperidine.

Molecular Properties

Compound Name4-[2-(3-chlorophenoxy)phenyl]piperidine
PubChem CID45483512
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name4-[2-(3-chlorophenoxy)phenyl]piperidine
SMILESClc1cccc(Oc2ccccc2C2CCNCC2)c1
InChIInChI=1S/C17H18ClNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2
InChIKeyQHHWSRAVBLCPAI-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorophenoxy)phenyl]piperidine?
The IUPAC name of 4-[2-(3-chlorophenoxy)phenyl]piperidine (CID 45483512) is 4-[2-(3-chlorophenoxy)phenyl]piperidine.
What is the SMILES notation for 4-[2-(3-chlorophenoxy)phenyl]piperidine?
The canonical SMILES for 4-[2-(3-chlorophenoxy)phenyl]piperidine is Clc1cccc(Oc2ccccc2C2CCNCC2)c1.
What is the InChIKey of 4-[2-(3-chlorophenoxy)phenyl]piperidine?
The InChIKey is QHHWSRAVBLCPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c18-14-4-3-5-15(12-14)20-17-7-2-1-6-16(17)13-8-10-19-11-9-13/h1-7,12-13,19H,8-11H2.
What are the key properties of 4-[2-(3-chlorophenoxy)phenyl]piperidine?
4-[2-(3-chlorophenoxy)phenyl]piperidine has a molecular weight of 287.79 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorophenoxy)phenyl]piperidine is sourced from PubChem (CID 45483512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).