(1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol

C20H22N2O — CID 11871008

IUPAC(1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol
SMILESO[C@H](C#CCN1CCCC[C@@H]1c1cccnc1)c1ccccc1
InChIInChI=1S/C20H22N2O/c23-20(17-8-2-1-3-9-17)12-7-15-22-14-5-4-11-19(22)18-10-6-13-21-16-18/h1-3,6,8-10,13,16,19-20,23H,4-5,11,14-15H2/t19-,20-/m1/s1
InChIKeyZDUIFRUINDFUOW-WOJBJXKFSA-N
MW306.41 g/mol
LogP3.35
Rot. Bonds3

About (1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol

(1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol (PubChem CID 11871008) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is (1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol.

Molecular Properties

Compound Name(1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol
PubChem CID11871008
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name(1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol
SMILESO[C@H](C#CCN1CCCC[C@@H]1c1cccnc1)c1ccccc1
InChIInChI=1S/C20H22N2O/c23-20(17-8-2-1-3-9-17)12-7-15-22-14-5-4-11-19(22)18-10-6-13-21-16-18/h1-3,6,8-10,13,16,19-20,23H,4-5,11,14-15H2/t19-,20-/m1/s1
InChIKeyZDUIFRUINDFUOW-WOJBJXKFSA-N
XLogP3.35
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-diphenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol
CID 7069904
1,1-diphenyl-4-(2-pyridin-3-ylpiperidin-1-yl)but-2-yn-1-ol
CID 4837486
3-[(2S)-1-[(3S)-3-phenylbutyl]piperidin-2-yl]pyridine
CID 124758484
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981
(3S)-3-methyl-1-phenyl-6-[(2R)-2-pyridin-3-ylpiperidin-1-yl]hex-4-yn-3-ol
CID 11870992
(3S)-2,3-dimethyl-6-[(2R)-2-pyridin-3-ylpiperidin-1-yl]hex-1-en-4-yn-3-ol
CID 11870936
(4R)-4,7-dimethyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]oct-2-yn-4-ol
CID 7070083
5-[(2R)-2-pyridin-3-ylpiperidin-1-yl]pent-3-ynyl acetate
CID 7069565
(4R)-4-methyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]oct-2-yn-4-ol
CID 7069917
(4S)-4-methyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]oct-2-yn-4-ol
CID 11870940
[(2S)-2-methyl-1-phenyl-5-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pent-3-yn-2-yl] acetate
CID 7327890
1-(2-pyridin-3-ylpyrrolidin-1-yl)propan-2-ol
CID 67495346

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol?
The IUPAC name of (1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol (CID 11871008) is (1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol.
What is the SMILES notation for (1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol?
The canonical SMILES for (1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol is O[C@H](C#CCN1CCCC[C@@H]1c1cccnc1)c1ccccc1.
What is the InChIKey of (1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol?
The InChIKey is ZDUIFRUINDFUOW-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H22N2O/c23-20(17-8-2-1-3-9-17)12-7-15-22-14-5-4-11-19(22)18-10-6-13-21-16-18/h1-3,6,8-10,13,16,19-20,23H,4-5,11,14-15H2/t19-,20-/m1/s1.
What are the key properties of (1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol?
(1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol has a molecular weight of 306.41 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol is sourced from PubChem (CID 11871008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).