(2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine

C20H27N3O — CID 174286456

IUPAC(2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1CN
InChIInChI=1S/C20H27N3O/c1-24-19-11-5-3-8-16(19)14-23-18-10-6-12-22-20(18)17-9-4-2-7-15(17)13-21/h2-5,7-9,11,18,20,22-23H,6,10,12-14,21H2,1H3/t18-,20-/m0/s1
InChIKeyVMANMMSHMIKTMN-ICSRJNTNSA-N
MW325.46 g/mol
LogP2.74
Rot. Bonds6

About (2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine

(2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine (PubChem CID 174286456) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
PubChem CID174286456
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
SMILESCOc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1CN
InChIInChI=1S/C20H27N3O/c1-24-19-11-5-3-8-16(19)14-23-18-10-6-12-22-20(18)17-9-4-2-7-15(17)13-21/h2-5,7-9,11,18,20,22-23H,6,10,12-14,21H2,1H3/t18-,20-/m0/s1
InChIKeyVMANMMSHMIKTMN-ICSRJNTNSA-N
XLogP2.74
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-(4-methylphenyl)piperidin-3-amine
CID 67820293
(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 54152550
(2S,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 11616159
(2R,3S)-N-[(2-methoxyphenyl)methyl]-2-phenylpyrrolidin-3-amine
CID 69248691
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
(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
(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine?
The IUPAC name of (2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine (CID 174286456) is (2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for (2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine?
The canonical SMILES for (2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine is COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1CN.
What is the InChIKey of (2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine?
The InChIKey is VMANMMSHMIKTMN-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H27N3O/c1-24-19-11-5-3-8-16(19)14-23-18-10-6-12-22-20(18)17-9-4-2-7-15(17)13-21/h2-5,7-9,11,18,20,22-23H,6,10,12-14,21H2,1H3/t18-,20-/m0/s1.
What are the key properties of (2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine?
(2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine has a molecular weight of 325.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[2-(aminomethyl)phenyl]-N-[(2-methoxyphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 174286456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).