4-(3-chloro-4-methylphenyl)-3-phenylpiperidine

C18H20ClN — CID 106819222

IUPAC4-(3-chloro-4-methylphenyl)-3-phenylpiperidine
SMILESCc1ccc(C2CCNCC2c2ccccc2)cc1Cl
InChIInChI=1S/C18H20ClN/c1-13-7-8-15(11-18(13)19)16-9-10-20-12-17(16)14-5-3-2-4-6-14/h2-8,11,16-17,20H,9-10,12H2,1H3
InChIKeyPXWMIPWXFDNBOJ-UHFFFAOYSA-N
MW285.82 g/mol
LogP4.51
Rot. Bonds2

About 4-(3-chloro-4-methylphenyl)-3-phenylpiperidine

4-(3-chloro-4-methylphenyl)-3-phenylpiperidine (PubChem CID 106819222) has the molecular formula C18H20ClN and a molecular weight of 285.82 g/mol. Its IUPAC name is 4-(3-chloro-4-methylphenyl)-3-phenylpiperidine.

Molecular Properties

Compound Name4-(3-chloro-4-methylphenyl)-3-phenylpiperidine
PubChem CID106819222
Molecular FormulaC18H20ClN
Molecular Weight285.82 g/mol
Exact Mass285.13
IUPAC Name4-(3-chloro-4-methylphenyl)-3-phenylpiperidine
SMILESCc1ccc(C2CCNCC2c2ccccc2)cc1Cl
InChIInChI=1S/C18H20ClN/c1-13-7-8-15(11-18(13)19)16-9-10-20-12-17(16)14-5-3-2-4-6-14/h2-8,11,16-17,20H,9-10,12H2,1H3
InChIKeyPXWMIPWXFDNBOJ-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylphenyl)-3-phenylpiperidine?
The IUPAC name of 4-(3-chloro-4-methylphenyl)-3-phenylpiperidine (CID 106819222) is 4-(3-chloro-4-methylphenyl)-3-phenylpiperidine.
What is the SMILES notation for 4-(3-chloro-4-methylphenyl)-3-phenylpiperidine?
The canonical SMILES for 4-(3-chloro-4-methylphenyl)-3-phenylpiperidine is Cc1ccc(C2CCNCC2c2ccccc2)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-methylphenyl)-3-phenylpiperidine?
The InChIKey is PXWMIPWXFDNBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN/c1-13-7-8-15(11-18(13)19)16-9-10-20-12-17(16)14-5-3-2-4-6-14/h2-8,11,16-17,20H,9-10,12H2,1H3.
What are the key properties of 4-(3-chloro-4-methylphenyl)-3-phenylpiperidine?
4-(3-chloro-4-methylphenyl)-3-phenylpiperidine has a molecular weight of 285.82 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylphenyl)-3-phenylpiperidine is sourced from PubChem (CID 106819222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).