4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine

C19H22ClNO — CID 67126569

IUPAC4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine
SMILESCOC1(Cc2ccccc2-c2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C19H22ClNO/c1-22-19(10-12-21-13-11-19)14-16-4-2-3-5-18(16)15-6-8-17(20)9-7-15/h2-9,21H,10-14H2,1H3
InChIKeyAXBBGBAFOMCWNI-UHFFFAOYSA-N
MW315.84 g/mol
LogP4.32
Rot. Bonds4

About 4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine

4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine (PubChem CID 67126569) has the molecular formula C19H22ClNO and a molecular weight of 315.84 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine
PubChem CID67126569
Molecular FormulaC19H22ClNO
Molecular Weight315.84 g/mol
Exact Mass315.14
IUPAC Name4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine
SMILESCOC1(Cc2ccccc2-c2ccc(Cl)cc2)CCNCC1
InChIInChI=1S/C19H22ClNO/c1-22-19(10-12-21-13-11-19)14-16-4-2-3-5-18(16)15-6-8-17(20)9-7-15/h2-9,21H,10-14H2,1H3
InChIKeyAXBBGBAFOMCWNI-UHFFFAOYSA-N
XLogP4.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine?
The IUPAC name of 4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine (CID 67126569) is 4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine?
The canonical SMILES for 4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine is COC1(Cc2ccccc2-c2ccc(Cl)cc2)CCNCC1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine?
The InChIKey is AXBBGBAFOMCWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO/c1-22-19(10-12-21-13-11-19)14-16-4-2-3-5-18(16)15-6-8-17(20)9-7-15/h2-9,21H,10-14H2,1H3.
What are the key properties of 4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine?
4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine has a molecular weight of 315.84 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine is sourced from PubChem (CID 67126569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).