4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine

C19H22ClNO — CID 19960203

IUPAC4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine
SMILESClc1cccc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C19H22ClNO/c20-18-8-4-5-16(13-18)14-22-15-19(9-11-21-12-10-19)17-6-2-1-3-7-17/h1-8,13,21H,9-12,14-15H2
InChIKeyJMHFEACLGLIGNT-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.18
Rot. Bonds5

About 4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine

4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine (PubChem CID 19960203) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine
PubChem CID19960203
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine
SMILESClc1cccc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C19H22ClNO/c20-18-8-4-5-16(13-18)14-22-15-19(9-11-21-12-10-19)17-6-2-1-3-7-17/h1-8,13,21H,9-12,14-15H2
InChIKeyJMHFEACLGLIGNT-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine (CID 19960203) is 4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine is Clc1cccc(COCC2(c3ccccc3)CCNCC2)c1.
What is the InChIKey of 4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine?
The InChIKey is JMHFEACLGLIGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c20-18-8-4-5-16(13-18)14-22-15-19(9-11-21-12-10-19)17-6-2-1-3-7-17/h1-8,13,21H,9-12,14-15H2.
What are the key properties of 4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine?
4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine has a molecular weight of 315.84 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chlorophenyl)methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 19960203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).