1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine

C19H21Cl2NO — CID 2802690

IUPAC1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine
SMILESCOc1ccccc1C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H21Cl2NO/c1-23-19-5-3-2-4-16(19)15-8-10-22(11-9-15)13-14-6-7-17(20)18(21)12-14/h2-7,12,15H,8-11,13H2,1H3
InChIKeyKXFYGCOGCADHLM-UHFFFAOYSA-N
MW350.29 g/mol
LogP5.38
Rot. Bonds4

About 1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine

1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine (PubChem CID 2802690) has the molecular formula C19H21Cl2NO and a molecular weight of 350.29 g/mol. Its IUPAC name is 1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine.

Molecular Properties

Compound Name1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine
PubChem CID2802690
Molecular FormulaC19H21Cl2NO
Molecular Weight350.29 g/mol
Exact Mass349.10
IUPAC Name1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine
SMILESCOc1ccccc1C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C19H21Cl2NO/c1-23-19-5-3-2-4-16(19)15-8-10-22(11-9-15)13-14-6-7-17(20)18(21)12-14/h2-7,12,15H,8-11,13H2,1H3
InChIKeyKXFYGCOGCADHLM-UHFFFAOYSA-N
XLogP5.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.29
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine?
The IUPAC name of 1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine (CID 2802690) is 1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine.
What is the SMILES notation for 1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine?
The canonical SMILES for 1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine is COc1ccccc1C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine?
The InChIKey is KXFYGCOGCADHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO/c1-23-19-5-3-2-4-16(19)15-8-10-22(11-9-15)13-14-6-7-17(20)18(21)12-14/h2-7,12,15H,8-11,13H2,1H3.
What are the key properties of 1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine?
1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine has a molecular weight of 350.29 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dichlorophenyl)methyl]-4-(2-methoxyphenyl)piperidine is sourced from PubChem (CID 2802690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).