3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine

C26H30N2O — CID 69056339

IUPAC3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccccc1CN1CCC(N)C(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H30N2O/c1-29-25-15-9-8-14-22(25)18-28-17-16-24(27)23(19-28)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,23-24,26H,16-19,27H2,1H3
InChIKeyIIEQAJJTJXGVFV-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.68
Rot. Bonds6

About 3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine

3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine (PubChem CID 69056339) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is 3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine
PubChem CID69056339
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccccc1CN1CCC(N)C(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H30N2O/c1-29-25-15-9-8-14-22(25)18-28-17-16-24(27)23(19-28)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,23-24,26H,16-19,27H2,1H3
InChIKeyIIEQAJJTJXGVFV-UHFFFAOYSA-N
XLogP4.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
1-[(2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 24904459
1-[(2-methoxyphenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575175
(3S,4R)-1-[(2-methoxyphenyl)methyl]-4-phenylpyrrolidin-3-amine
CID 120770365
4-chloro-1-[(2-methoxyphenyl)methyl]piperidine
CID 63389508
N-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62512223
1-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine
CID 82159596
(3R)-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine
CID 95443854
3-(bromomethyl)-1-[(2-methoxyphenyl)methyl]piperidine
CID 80680227
2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728614
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 119904478
1-[(5-amino-2-methoxyphenyl)methyl]-3-benzhydrylpiperidin-4-one
CID 23025461

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine (CID 69056339) is 3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine is COc1ccccc1CN1CCC(N)C(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is IIEQAJJTJXGVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-29-25-15-9-8-14-22(25)18-28-17-16-24(27)23(19-28)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,23-24,26H,16-19,27H2,1H3.
What are the key properties of 3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine?
3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 386.54 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-1-[(2-methoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 69056339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).