4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine

C20H24ClNO — CID 54490873

IUPAC4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine
SMILESCc1cc(Cl)cc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C20H24ClNO/c1-16-11-17(13-19(21)12-16)14-23-15-20(7-9-22-10-8-20)18-5-3-2-4-6-18/h2-6,11-13,22H,7-10,14-15H2,1H3
InChIKeyXVPUNWJVPPGHAW-UHFFFAOYSA-N
MW329.87 g/mol
LogP4.49
Rot. Bonds5

About 4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine

4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine (PubChem CID 54490873) has the molecular formula C20H24ClNO and a molecular weight of 329.87 g/mol. Its IUPAC name is 4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine
PubChem CID54490873
Molecular FormulaC20H24ClNO
Molecular Weight329.87 g/mol
Exact Mass329.15
IUPAC Name4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine
SMILESCc1cc(Cl)cc(COCC2(c3ccccc3)CCNCC2)c1
InChIInChI=1S/C20H24ClNO/c1-16-11-17(13-19(21)12-16)14-23-15-20(7-9-22-10-8-20)18-5-3-2-4-6-18/h2-6,11-13,22H,7-10,14-15H2,1H3
InChIKeyXVPUNWJVPPGHAW-UHFFFAOYSA-N
XLogP4.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine?
The IUPAC name of 4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine (CID 54490873) is 4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine?
The canonical SMILES for 4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine is Cc1cc(Cl)cc(COCC2(c3ccccc3)CCNCC2)c1.
What is the InChIKey of 4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine?
The InChIKey is XVPUNWJVPPGHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO/c1-16-11-17(13-19(21)12-16)14-23-15-20(7-9-22-10-8-20)18-5-3-2-4-6-18/h2-6,11-13,22H,7-10,14-15H2,1H3.
What are the key properties of 4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine?
4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine has a molecular weight of 329.87 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-5-methylphenyl)methoxymethyl]-4-phenylpiperidine is sourced from PubChem (CID 54490873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).