4-[(2,3-dichlorophenoxy)-phenylmethyl]piperidine

C18H19Cl2NO — CID 45270595

IUPAC4-[(2,3-dichlorophenoxy)-phenylmethyl]piperidine
SMILESClc1cccc(OC(c2ccccc2)C2CCNCC2)c1Cl
InChIInChI=1S/C18H19Cl2NO/c19-15-7-4-8-16(17(15)20)22-18(13-5-2-1-3-6-13)14-9-11-21-12-10-14/h1-8,14,18,21H,9-12H2
InChIKeyAMLGZPQHVSFYSD-UHFFFAOYSA-N
MW336.26 g/mol
LogP5.11
Rot. Bonds4

About 4-[(2,3-dichlorophenoxy)-phenylmethyl]piperidine

4-[(2,3-dichlorophenoxy)-phenylmethyl]piperidine (PubChem CID 45270595) has the molecular formula C18H19Cl2NO and a molecular weight of 336.26 g/mol. Its IUPAC name is 4-[(2,3-dichlorophenoxy)-phenylmethyl]piperidine.

Molecular Properties

Compound Name4-[(2,3-dichlorophenoxy)-phenylmethyl]piperidine
PubChem CID45270595
Molecular FormulaC18H19Cl2NO
Molecular Weight336.26 g/mol
Exact Mass335.08
IUPAC Name4-[(2,3-dichlorophenoxy)-phenylmethyl]piperidine
SMILESClc1cccc(OC(c2ccccc2)C2CCNCC2)c1Cl
InChIInChI=1S/C18H19Cl2NO/c19-15-7-4-8-16(17(15)20)22-18(13-5-2-1-3-6-13)14-9-11-21-12-10-14/h1-8,14,18,21H,9-12H2
InChIKeyAMLGZPQHVSFYSD-UHFFFAOYSA-N
XLogP5.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.26
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dichlorophenoxy)-phenylmethyl]piperidine?
The IUPAC name of 4-[(2,3-dichlorophenoxy)-phenylmethyl]piperidine (CID 45270595) is 4-[(2,3-dichlorophenoxy)-phenylmethyl]piperidine.
What is the SMILES notation for 4-[(2,3-dichlorophenoxy)-phenylmethyl]piperidine?
The canonical SMILES for 4-[(2,3-dichlorophenoxy)-phenylmethyl]piperidine is Clc1cccc(OC(c2ccccc2)C2CCNCC2)c1Cl.
What is the InChIKey of 4-[(2,3-dichlorophenoxy)-phenylmethyl]piperidine?
The InChIKey is AMLGZPQHVSFYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO/c19-15-7-4-8-16(17(15)20)22-18(13-5-2-1-3-6-13)14-9-11-21-12-10-14/h1-8,14,18,21H,9-12H2.
What are the key properties of 4-[(2,3-dichlorophenoxy)-phenylmethyl]piperidine?
4-[(2,3-dichlorophenoxy)-phenylmethyl]piperidine has a molecular weight of 336.26 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dichlorophenoxy)-phenylmethyl]piperidine is sourced from PubChem (CID 45270595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).