[(2R,3R)-3-phenylpiperidin-2-yl]methanamine

C12H18N2 — CID 66811554

IUPAC[(2R,3R)-3-phenylpiperidin-2-yl]methanamine
SMILESNC[C@@H]1NCCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H18N2/c13-9-12-11(7-4-8-14-12)10-5-2-1-3-6-10/h1-3,5-6,11-12,14H,4,7-9,13H2/t11-,12+/m1/s1
InChIKeyQMGMVHVGCOUDLV-NEPJUHHUSA-N
MW190.29 g/mol
LogP1.48
Rot. Bonds2

About [(2R,3R)-3-phenylpiperidin-2-yl]methanamine

[(2R,3R)-3-phenylpiperidin-2-yl]methanamine (PubChem CID 66811554) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is [(2R,3R)-3-phenylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R)-3-phenylpiperidin-2-yl]methanamine
PubChem CID66811554
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name[(2R,3R)-3-phenylpiperidin-2-yl]methanamine
SMILESNC[C@@H]1NCCC[C@@H]1c1ccccc1
InChIInChI=1S/C12H18N2/c13-9-12-11(7-4-8-14-12)10-5-2-1-3-6-10/h1-3,5-6,11-12,14H,4,7-9,13H2/t11-,12+/m1/s1
InChIKeyQMGMVHVGCOUDLV-NEPJUHHUSA-N
XLogP1.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
2-chloro-3-phenylpiperidine
CID 89323539
2-ethyl-3-phenylpyrrolidine
CID 62354556
(2S,3R)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397686
(2S,3S)-2-(2-methylpropyl)-3-phenylpyrrolidine
CID 101397684
(3R,4R)-3,4-diphenylazepane;ethane
CID 123989610
[(1R,2R)-2-phenylcyclobutyl]methanamine
CID 121206987
(2S,3R)-2-phenylpiperidin-3-amine
CID 56845355
3-phenyl-2-propan-2-ylpyrrolidine
CID 64689457
(3R)-3-methyl-2-phenylpiperidine
CID 155222992
(2S,3R)-3-phenyl-2-propan-2-ylpyrrolidine
CID 124508929
2-(2-phenylcycloheptyl)propan-1-amine
CID 82242886

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-phenylpiperidin-2-yl]methanamine?
The IUPAC name of [(2R,3R)-3-phenylpiperidin-2-yl]methanamine (CID 66811554) is [(2R,3R)-3-phenylpiperidin-2-yl]methanamine.
What is the SMILES notation for [(2R,3R)-3-phenylpiperidin-2-yl]methanamine?
The canonical SMILES for [(2R,3R)-3-phenylpiperidin-2-yl]methanamine is NC[C@@H]1NCCC[C@@H]1c1ccccc1.
What is the InChIKey of [(2R,3R)-3-phenylpiperidin-2-yl]methanamine?
The InChIKey is QMGMVHVGCOUDLV-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H18N2/c13-9-12-11(7-4-8-14-12)10-5-2-1-3-6-10/h1-3,5-6,11-12,14H,4,7-9,13H2/t11-,12+/m1/s1.
What are the key properties of [(2R,3R)-3-phenylpiperidin-2-yl]methanamine?
[(2R,3R)-3-phenylpiperidin-2-yl]methanamine has a molecular weight of 190.29 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-phenylpiperidin-2-yl]methanamine is sourced from PubChem (CID 66811554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).