N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine

C19H24N2O — CID 18435769

IUPACN-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccccc1CNC1CCCNC1c1ccccc1
InChIInChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3
InChIKeyDTQNEFOKTXXQKV-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.28
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine

N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine (PubChem CID 18435769) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
PubChem CID18435769
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOc1ccccc1CNC1CCCNC1c1ccccc1
InChIInChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3
InChIKeyDTQNEFOKTXXQKV-UHFFFAOYSA-N
XLogP3.28
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
(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)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine
CID 67820293
(2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54131867
(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 54152550
(2S,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54042536
N-[(2-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 19696661
(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693
(2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 174286456
(2S,3S)-N-[(2-methoxy-5-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 70200380

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine (CID 18435769) is N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine is COc1ccccc1CNC1CCCNC1c1ccccc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
The InChIKey is DTQNEFOKTXXQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-22-18-12-6-5-10-16(18)14-21-17-11-7-13-20-19(17)15-8-3-2-4-9-15/h2-6,8-10,12,17,19-21H,7,11,13-14H2,1H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine?
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine has a molecular weight of 296.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 18435769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).