(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride

C21H30Cl2N2O — CID 15947124

IUPAC(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride
SMILESCl.Cl.N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCC(c2ccccc2)C1
InChIInChI=1S/C21H28N2O.2ClH/c22-20(14-17-8-3-1-4-9-17)21(24)16-23-13-7-12-19(15-23)18-10-5-2-6-11-18;;/h1-6,8-11,19-21,24H,7,12-16,22H2;2*1H/t19?,20-,21+;;/m1../s1
InChIKeyCPVOTEHBPPONDI-DCWAMTSISA-N
MW397.39 g/mol
LogP3.64
Rot. Bonds6

About (2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride

(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride (PubChem CID 15947124) has the molecular formula C21H30Cl2N2O and a molecular weight of 397.39 g/mol. Its IUPAC name is (2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride.

Molecular Properties

Compound Name(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride
PubChem CID15947124
Molecular FormulaC21H30Cl2N2O
Molecular Weight397.39 g/mol
Exact Mass396.17
IUPAC Name(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride
SMILESCl.Cl.N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCC(c2ccccc2)C1
InChIInChI=1S/C21H28N2O.2ClH/c22-20(14-17-8-3-1-4-9-17)21(24)16-23-13-7-12-19(15-23)18-10-5-2-6-11-18;;/h1-6,8-11,19-21,24H,7,12-16,22H2;2*1H/t19?,20-,21+;;/m1../s1
InChIKeyCPVOTEHBPPONDI-DCWAMTSISA-N
XLogP3.64
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol
CID 15947125
(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;methane;sulfane;dihydrochloride
CID 158132619
(3R)-3-amino-4-phenyl-1-pyrrolidin-1-ylbutan-2-ol
CID 143402490
N-[1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyl]piperidin-3-yl]acetamide
CID 139013773
4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol
CID 143402498
(2S,3R)-3-amino-1-morpholin-4-yl-4-phenylbutan-2-ol;sulfane;dihydrochloride
CID 161196284
(2S,3S)-3-amino-4-phenyl-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]butan-2-ol;dihydrochloride
CID 86748768
(2R,3S)-3-amino-1-[(4R)-4-methyl-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-4-phenylbutan-2-ol
CID 58255718
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(3-phenylpiperidin-1-yl)propan-2-ol
CID 175811247
(2S)-1-(3-amino-2-hydroxy-4-phenylbutyl)-N-benzylpyrrolidine-2-carboxamide
CID 70047046
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-phenylbutan-2-ol
CID 22351223
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-phenylpropan-2-amine
CID 43620478

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride?
The IUPAC name of (2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride (CID 15947124) is (2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride.
What is the SMILES notation for (2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride?
The canonical SMILES for (2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride is Cl.Cl.N[C@H](Cc1ccccc1)[C@@H](O)CN1CCCC(c2ccccc2)C1.
What is the InChIKey of (2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride?
The InChIKey is CPVOTEHBPPONDI-DCWAMTSISA-N. The full InChI is InChI=1S/C21H28N2O.2ClH/c22-20(14-17-8-3-1-4-9-17)21(24)16-23-13-7-12-19(15-23)18-10-5-2-6-11-18;;/h1-6,8-11,19-21,24H,7,12-16,22H2;2*1H/t19?,20-,21+;;/m1../s1.
What are the key properties of (2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride?
(2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride has a molecular weight of 397.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-4-phenyl-1-(3-phenylpiperidin-1-yl)butan-2-ol;dihydrochloride is sourced from PubChem (CID 15947124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).