(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine

C20H26N2O — CID 67820293

IUPAC(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine
SMILESCOc1ccccc1CN[C@H]1CCCN[C@H]1c1ccc(C)cc1
InChIInChI=1S/C20H26N2O/c1-15-9-11-16(12-10-15)20-18(7-5-13-21-20)22-14-17-6-3-4-8-19(17)23-2/h3-4,6,8-12,18,20-22H,5,7,13-14H2,1-2H3/t18-,20-/m0/s1
InChIKeyBGPRIPKLEICARX-ICSRJNTNSA-N
MW310.44 g/mol
LogP3.59
Rot. Bonds5

About (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine

(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine (PubChem CID 67820293) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine
PubChem CID67820293
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine
SMILESCOc1ccccc1CN[C@H]1CCCN[C@H]1c1ccc(C)cc1
InChIInChI=1S/C20H26N2O/c1-15-9-11-16(12-10-15)20-18(7-5-13-21-20)22-14-17-6-3-4-8-19(17)23-2/h3-4,6,8-12,18,20-22H,5,7,13-14H2,1-2H3/t18-,20-/m0/s1
InChIKeyBGPRIPKLEICARX-ICSRJNTNSA-N
XLogP3.59
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(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
(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 54152550
(2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 174286456
(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693
(2R,3R)-N-[(2-ethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54131867
(2S,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 54042536
2-cyclopentyl-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 19012952
trans-(1R,2R)-1-N,2-N-bis[(2-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 71414214

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine?
The IUPAC name of (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine (CID 67820293) is (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine.
What is the SMILES notation for (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine?
The canonical SMILES for (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine is COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccc(C)cc1.
What is the InChIKey of (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine?
The InChIKey is BGPRIPKLEICARX-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H26N2O/c1-15-9-11-16(12-10-15)20-18(7-5-13-21-20)22-14-17-6-3-4-8-19(17)23-2/h3-4,6,8-12,18,20-22H,5,7,13-14H2,1-2H3/t18-,20-/m0/s1.
What are the key properties of (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine?
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine has a molecular weight of 310.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2-methoxyphenyl)methyl]-2-(4-methylphenyl)piperidin-3-amine is sourced from PubChem (CID 67820293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).