(2R,3S)-3-benzyl-2-phenylpiperidin-1-amine

C18H22N2 — CID 152692298

IUPAC(2R,3S)-3-benzyl-2-phenylpiperidin-1-amine
SMILESNN1CCC[C@@H](Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H22N2/c19-20-13-7-12-17(14-15-8-3-1-4-9-15)18(20)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14,19H2/t17-,18-/m0/s1
InChIKeyZPVCHFIWLKUQJS-ROUUACIJSA-N
MW266.39 g/mol
LogP3.56
Rot. Bonds3

About (2R,3S)-3-benzyl-2-phenylpiperidin-1-amine

(2R,3S)-3-benzyl-2-phenylpiperidin-1-amine (PubChem CID 152692298) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is (2R,3S)-3-benzyl-2-phenylpiperidin-1-amine.

Molecular Properties

Compound Name(2R,3S)-3-benzyl-2-phenylpiperidin-1-amine
PubChem CID152692298
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name(2R,3S)-3-benzyl-2-phenylpiperidin-1-amine
SMILESNN1CCC[C@@H](Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H22N2/c19-20-13-7-12-17(14-15-8-3-1-4-9-15)18(20)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14,19H2/t17-,18-/m0/s1
InChIKeyZPVCHFIWLKUQJS-ROUUACIJSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-phenyl-3-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-1-amine;hydrochloride
CID 69240549
(2S,3S)-2-phenyl-3-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-1-amine
CID 69239676
(2S,3S)-2-phenyl-3-[(5-propan-2-yl-2,3-dihydro-1-benzofuran-7-yl)methyl]piperidin-1-amine
CID 67585248
7-[[(2S,3S)-1-amino-2-phenylpiperidin-3-yl]methyl]-6-methoxy-1,3-dimethyl-3,4-dihydroquinolin-2-one
CID 160723313
3-[3-[[(2S,3S)-1-amino-2-phenylpiperidin-3-yl]methyl]-4-methoxyphenyl]-3-methylbutan-2-one
CID 150999414
(2S,3S)-3-[(5-methylsulfinyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-phenylpiperidin-1-amine;hydrochloride
CID 67586200
2-[3-[[(2S,3S)-1-amino-2-phenylpiperidin-3-yl]methyl]-4-methoxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;dihydrochloride
CID 172722423
2-phenylpyrrolidin-1-amine;hydrochloride
CID 75360806
CID 162338619
CID 162338619
(2S,3S)-3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-phenylpiperidin-1-amine;hydrochloride
CID 67586192
(2S,3S)-3-[[5-[3,5-bis(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-7-yl]methyl]-2-phenylpiperidin-1-amine
CID 157228178
7-[[(2S,3S)-1-amino-2-phenylpiperidin-3-yl]methyl]-N,N,2,4-tetramethyl-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 67584556

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-benzyl-2-phenylpiperidin-1-amine?
The IUPAC name of (2R,3S)-3-benzyl-2-phenylpiperidin-1-amine (CID 152692298) is (2R,3S)-3-benzyl-2-phenylpiperidin-1-amine.
What is the SMILES notation for (2R,3S)-3-benzyl-2-phenylpiperidin-1-amine?
The canonical SMILES for (2R,3S)-3-benzyl-2-phenylpiperidin-1-amine is NN1CCC[C@@H](Cc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-3-benzyl-2-phenylpiperidin-1-amine?
The InChIKey is ZPVCHFIWLKUQJS-ROUUACIJSA-N. The full InChI is InChI=1S/C18H22N2/c19-20-13-7-12-17(14-15-8-3-1-4-9-15)18(20)16-10-5-2-6-11-16/h1-6,8-11,17-18H,7,12-14,19H2/t17-,18-/m0/s1.
What are the key properties of (2R,3S)-3-benzyl-2-phenylpiperidin-1-amine?
(2R,3S)-3-benzyl-2-phenylpiperidin-1-amine has a molecular weight of 266.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-benzyl-2-phenylpiperidin-1-amine is sourced from PubChem (CID 152692298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).