1-benzyl-N-(3,5-dimethoxyphenyl)piperidin-4-amine

C20H26N2O2 — CID 53321699

IUPAC1-benzyl-N-(3,5-dimethoxyphenyl)piperidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3ccccc3)CC2)cc(OC)c1
InChIInChI=1S/C20H26N2O2/c1-23-19-12-18(13-20(14-19)24-2)21-17-8-10-22(11-9-17)15-16-6-4-3-5-7-16/h3-7,12-14,17,21H,8-11,15H2,1-2H3
InChIKeyVCCZDXNQIRMUJA-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.78
Rot. Bonds6

About 1-benzyl-N-(3,5-dimethoxyphenyl)piperidin-4-amine

1-benzyl-N-(3,5-dimethoxyphenyl)piperidin-4-amine (PubChem CID 53321699) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-benzyl-N-(3,5-dimethoxyphenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-(3,5-dimethoxyphenyl)piperidin-4-amine
PubChem CID53321699
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-benzyl-N-(3,5-dimethoxyphenyl)piperidin-4-amine
SMILESCOc1cc(NC2CCN(Cc3ccccc3)CC2)cc(OC)c1
InChIInChI=1S/C20H26N2O2/c1-23-19-12-18(13-20(14-19)24-2)21-17-8-10-22(11-9-17)15-16-6-4-3-5-7-16/h3-7,12-14,17,21H,8-11,15H2,1-2H3
InChIKeyVCCZDXNQIRMUJA-UHFFFAOYSA-N
XLogP3.78
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3,5-dimethoxyphenyl)piperidin-4-amine?
The IUPAC name of 1-benzyl-N-(3,5-dimethoxyphenyl)piperidin-4-amine (CID 53321699) is 1-benzyl-N-(3,5-dimethoxyphenyl)piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-(3,5-dimethoxyphenyl)piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-(3,5-dimethoxyphenyl)piperidin-4-amine is COc1cc(NC2CCN(Cc3ccccc3)CC2)cc(OC)c1.
What is the InChIKey of 1-benzyl-N-(3,5-dimethoxyphenyl)piperidin-4-amine?
The InChIKey is VCCZDXNQIRMUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-23-19-12-18(13-20(14-19)24-2)21-17-8-10-22(11-9-17)15-16-6-4-3-5-7-16/h3-7,12-14,17,21H,8-11,15H2,1-2H3.
What are the key properties of 1-benzyl-N-(3,5-dimethoxyphenyl)piperidin-4-amine?
1-benzyl-N-(3,5-dimethoxyphenyl)piperidin-4-amine has a molecular weight of 326.44 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3,5-dimethoxyphenyl)piperidin-4-amine is sourced from PubChem (CID 53321699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).