4-[(3-chlorophenoxy)-phenylmethyl]piperidine

C18H20ClNO — CID 23562860

IUPAC4-[(3-chlorophenoxy)-phenylmethyl]piperidine
SMILESClc1cccc(OC(c2ccccc2)C2CCNCC2)c1
InChIInChI=1S/C18H20ClNO/c19-16-7-4-8-17(13-16)21-18(14-5-2-1-3-6-14)15-9-11-20-12-10-15/h1-8,13,15,18,20H,9-12H2
InChIKeyXWKDJWUGOIMATK-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.46
Rot. Bonds4

About 4-[(3-chlorophenoxy)-phenylmethyl]piperidine

4-[(3-chlorophenoxy)-phenylmethyl]piperidine (PubChem CID 23562860) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 4-[(3-chlorophenoxy)-phenylmethyl]piperidine.

Molecular Properties

Compound Name4-[(3-chlorophenoxy)-phenylmethyl]piperidine
PubChem CID23562860
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name4-[(3-chlorophenoxy)-phenylmethyl]piperidine
SMILESClc1cccc(OC(c2ccccc2)C2CCNCC2)c1
InChIInChI=1S/C18H20ClNO/c19-16-7-4-8-17(13-16)21-18(14-5-2-1-3-6-14)15-9-11-20-12-10-15/h1-8,13,15,18,20H,9-12H2
InChIKeyXWKDJWUGOIMATK-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenoxy)-phenylmethyl]piperidine?
The IUPAC name of 4-[(3-chlorophenoxy)-phenylmethyl]piperidine (CID 23562860) is 4-[(3-chlorophenoxy)-phenylmethyl]piperidine.
What is the SMILES notation for 4-[(3-chlorophenoxy)-phenylmethyl]piperidine?
The canonical SMILES for 4-[(3-chlorophenoxy)-phenylmethyl]piperidine is Clc1cccc(OC(c2ccccc2)C2CCNCC2)c1.
What is the InChIKey of 4-[(3-chlorophenoxy)-phenylmethyl]piperidine?
The InChIKey is XWKDJWUGOIMATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c19-16-7-4-8-17(13-16)21-18(14-5-2-1-3-6-14)15-9-11-20-12-10-15/h1-8,13,15,18,20H,9-12H2.
What are the key properties of 4-[(3-chlorophenoxy)-phenylmethyl]piperidine?
4-[(3-chlorophenoxy)-phenylmethyl]piperidine has a molecular weight of 301.82 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenoxy)-phenylmethyl]piperidine is sourced from PubChem (CID 23562860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).