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

C26H30N2O — CID 69056336

IUPAC3-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccccc1CNC1CCNCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N2O/c1-29-25-15-9-8-14-22(25)18-28-24-16-17-27-19-23(24)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,23-24,26-28H,16-19H2,1H3
InChIKeyAGTQGKFHDZZGHU-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.59
Rot. Bonds7

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

3-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-4-amine (PubChem CID 69056336) has the molecular formula C26H30N2O and a molecular weight of 386.54 g/mol. Its IUPAC name is 3-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-4-amine
PubChem CID69056336
Molecular FormulaC26H30N2O
Molecular Weight386.54 g/mol
Exact Mass386.24
IUPAC Name3-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccccc1CNC1CCNCC1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H30N2O/c1-29-25-15-9-8-14-22(25)18-28-24-16-17-27-19-23(24)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,23-24,26-28H,16-19H2,1H3
InChIKeyAGTQGKFHDZZGHU-UHFFFAOYSA-N
XLogP4.59
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4S)-N-[(2-methoxyphenyl)methyl]-3-phenylpiperidin-4-amine;hydrochloride
CID 69059511
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 11616159
(2R,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69248691
(2S,3S)-2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]pyrrolidin-3-amine
CID 67820435
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 19012952
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
6-benzhydryl-N-[(2-methoxyphenyl)methyl]-7-azatricyclo[5.4.0.03,8]undecan-5-amine
CID 67835696
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
N-[(2-methoxyphenyl)methyl]-2-phenyl-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepin-3-amine
CID 57144170

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 3-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-4-amine (CID 69056336) is 3-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 3-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 3-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-4-amine is COc1ccccc1CNC1CCNCC1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is AGTQGKFHDZZGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O/c1-29-25-15-9-8-14-22(25)18-28-24-16-17-27-19-23(24)26(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-15,23-24,26-28H,16-19H2,1H3.
What are the key properties of 3-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-4-amine?
3-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 386.54 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-N-[(2-methoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 69056336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).