N-(2-methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine

C20H26N2O — CID 12741860

IUPACN-(2-methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine
SMILESCOc1ccccc1NC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H26N2O/c1-23-20-10-6-5-9-19(20)21-18-12-15-22(16-13-18)14-11-17-7-3-2-4-8-17/h2-10,18,21H,11-16H2,1H3
InChIKeyFDBPJBXPRPTHAR-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.81
Rot. Bonds6

About N-(2-methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine

N-(2-methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine (PubChem CID 12741860) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine
PubChem CID12741860
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-(2-methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine
SMILESCOc1ccccc1NC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H26N2O/c1-23-20-10-6-5-9-19(20)21-18-12-15-22(16-13-18)14-11-17-7-3-2-4-8-17/h2-10,18,21H,11-16H2,1H3
InChIKeyFDBPJBXPRPTHAR-UHFFFAOYSA-N
XLogP3.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-(2-methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine (CID 12741860) is N-(2-methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-(2-methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine is COc1ccccc1NC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine?
The InChIKey is FDBPJBXPRPTHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-23-20-10-6-5-9-19(20)21-18-12-15-22(16-13-18)14-11-17-7-3-2-4-8-17/h2-10,18,21H,11-16H2,1H3.
What are the key properties of N-(2-methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine?
N-(2-methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine has a molecular weight of 310.44 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 12741860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).