(2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine

C19H22N2O2 — CID 57162412

IUPAC(2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine
SMILESc1ccc([C@@H]2NCCC[C@@H]2NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H22N2O2/c1-2-5-15(6-3-1)19-16(7-4-10-20-19)21-12-14-8-9-17-18(11-14)23-13-22-17/h1-3,5-6,8-9,11,16,19-21H,4,7,10,12-13H2/t16-,19-/m0/s1
InChIKeyFZDSPJYARSDGDR-LPHOPBHVSA-N
MW310.40 g/mol
LogP3.00
Rot. Bonds4

About (2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine

(2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine (PubChem CID 57162412) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine
PubChem CID57162412
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine
SMILESc1ccc([C@@H]2NCCC[C@@H]2NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H22N2O2/c1-2-5-15(6-3-1)19-16(7-4-10-20-19)21-12-14-8-9-17-18(11-14)23-13-22-17/h1-3,5-6,8-9,11,16,19-21H,4,7,10,12-13H2/t16-,19-/m0/s1
InChIKeyFZDSPJYARSDGDR-LPHOPBHVSA-N
XLogP3.00
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-N-benzyl-2-phenylpiperidin-3-amine
CID 67754429
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 22918527
N-(1,3-benzodioxol-5-ylmethyl)-2-methylcyclohexan-1-amine
CID 2852722
(2R,3S)-N-[(2-chlorophenyl)methyl]-2-phenylpiperidin-3-amine
CID 54529861
N-(1,3-benzodioxol-5-ylmethyl)-2-tert-butylcyclohexan-1-amine
CID 43078372
(2S,3R)-N-benzyl-2-phenylpyrrolidin-3-amine
CID 11499795
N-(1,3-benzodioxol-5-ylmethyl)-2,3,4,4a,9,9a-hexahydro-1H-carbazol-1-amine
CID 70993058
(1S,2R,3R)-N-(1,3-benzodioxol-5-ylmethyl)-2,3-dimethylcyclohexan-1-amine
CID 11882183
3-cyclopropyl-5-[[(2-phenylpiperidin-3-yl)amino]methyl]-1,3-dihydroindol-2-one
CID 91082876
N-(1,3-benzodioxol-5-ylmethyl)-3-phenyl-1-propylpiperidin-4-amine
CID 110244469
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2S,3S)-N-[[2-(ethylamino)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 57158531

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine?
The IUPAC name of (2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine (CID 57162412) is (2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine.
What is the SMILES notation for (2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine?
The canonical SMILES for (2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine is c1ccc([C@@H]2NCCC[C@@H]2NCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of (2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine?
The InChIKey is FZDSPJYARSDGDR-LPHOPBHVSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-5-15(6-3-1)19-16(7-4-10-20-19)21-12-14-8-9-17-18(11-14)23-13-22-17/h1-3,5-6,8-9,11,16,19-21H,4,7,10,12-13H2/t16-,19-/m0/s1.
What are the key properties of (2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine?
(2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine has a molecular weight of 310.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-(1,3-benzodioxol-5-ylmethyl)-2-phenylpiperidin-3-amine is sourced from PubChem (CID 57162412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).