(2S,3S)-2-[methoxy(phenyl)methyl]-2-phenylpiperidin-3-amine

C19H24N2O — CID 141035791

IUPAC(2S,3S)-2-[methoxy(phenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOC(c1ccccc1)[C@@]1(c2ccccc2)NCCC[C@@H]1N
InChIInChI=1S/C19H24N2O/c1-22-18(15-9-4-2-5-10-15)19(16-11-6-3-7-12-16)17(20)13-8-14-21-19/h2-7,9-12,17-18,21H,8,13-14,20H2,1H3/t17-,18?,19-/m0/s1
InChIKeyBAAIMHARSSVXDL-JVUMBYKBSA-N
MW296.41 g/mol
LogP2.98
Rot. Bonds4

About (2S,3S)-2-[methoxy(phenyl)methyl]-2-phenylpiperidin-3-amine

(2S,3S)-2-[methoxy(phenyl)methyl]-2-phenylpiperidin-3-amine (PubChem CID 141035791) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (2S,3S)-2-[methoxy(phenyl)methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-[methoxy(phenyl)methyl]-2-phenylpiperidin-3-amine
PubChem CID141035791
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(2S,3S)-2-[methoxy(phenyl)methyl]-2-phenylpiperidin-3-amine
SMILESCOC(c1ccccc1)[C@@]1(c2ccccc2)NCCC[C@@H]1N
InChIInChI=1S/C19H24N2O/c1-22-18(15-9-4-2-5-10-15)19(16-11-6-3-7-12-16)17(20)13-8-14-21-19/h2-7,9-12,17-18,21H,8,13-14,20H2,1H3/t17-,18?,19-/m0/s1
InChIKeyBAAIMHARSSVXDL-JVUMBYKBSA-N
XLogP2.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane
CID 101444494
(2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one
CID 101013744
2-amino-1-(1-phenylethyl)cyclopentan-1-ol
CID 67750994
[[1-(bromomethyl)cyclopropyl]-methoxymethyl]benzene
CID 22636892
(3R)-3-[(1S)-1-phenylethoxy]piperidine
CID 129369907
(2S)-2-fluoro-2-phenylcyclopropan-1-amine
CID 155890824
cis-(1R,2S)-2-amino-1-phenylcyclopentan-1-ol
CID 92978161
2-(1-methoxy-2-phenylethyl)pyrrolidine
CID 22456721
1-cyclohexyloxy-1-phenylpropan-2-amine
CID 55017556
3-benzhydryloxypiperidine
CID 2762417
2-tert-butyl-2-phenylpyrrolidine
CID 66465844
(2R)-2-[(1R)-1-phenylethyl]pyrrolidine
CID 95732426

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[methoxy(phenyl)methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of (2S,3S)-2-[methoxy(phenyl)methyl]-2-phenylpiperidin-3-amine (CID 141035791) is (2S,3S)-2-[methoxy(phenyl)methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2S,3S)-2-[methoxy(phenyl)methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for (2S,3S)-2-[methoxy(phenyl)methyl]-2-phenylpiperidin-3-amine is COC(c1ccccc1)[C@@]1(c2ccccc2)NCCC[C@@H]1N.
What is the InChIKey of (2S,3S)-2-[methoxy(phenyl)methyl]-2-phenylpiperidin-3-amine?
The InChIKey is BAAIMHARSSVXDL-JVUMBYKBSA-N. The full InChI is InChI=1S/C19H24N2O/c1-22-18(15-9-4-2-5-10-15)19(16-11-6-3-7-12-16)17(20)13-8-14-21-19/h2-7,9-12,17-18,21H,8,13-14,20H2,1H3/t17-,18?,19-/m0/s1.
What are the key properties of (2S,3S)-2-[methoxy(phenyl)methyl]-2-phenylpiperidin-3-amine?
(2S,3S)-2-[methoxy(phenyl)methyl]-2-phenylpiperidin-3-amine has a molecular weight of 296.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[methoxy(phenyl)methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 141035791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).