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

C26H26N2O — CID 7069904

IUPAC1,1-diphenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol
SMILESOC(C#CCN1CCCC[C@@H]1c1cccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O/c29-26(23-12-3-1-4-13-23,24-14-5-2-6-15-24)17-10-20-28-19-8-7-16-25(28)22-11-9-18-27-21-22/h1-6,9,11-15,18,21,25,29H,7-8,16,19-20H2/t25-/m1/s1
InChIKeyVFORLDQRPVZGNE-RUZDIDTESA-N
MW382.51 g/mol
LogP4.55
Rot. Bonds4

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

1,1-diphenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol (PubChem CID 7069904) has the molecular formula C26H26N2O and a molecular weight of 382.51 g/mol. Its IUPAC name is 1,1-diphenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol.

Molecular Properties

Compound Name1,1-diphenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol
PubChem CID7069904
Molecular FormulaC26H26N2O
Molecular Weight382.51 g/mol
Exact Mass382.20
IUPAC Name1,1-diphenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol
SMILESOC(C#CCN1CCCC[C@@H]1c1cccnc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H26N2O/c29-26(23-12-3-1-4-13-23,24-14-5-2-6-15-24)17-10-20-28-19-8-7-16-25(28)22-11-9-18-27-21-22/h1-6,9,11-15,18,21,25,29H,7-8,16,19-20H2/t25-/m1/s1
InChIKeyVFORLDQRPVZGNE-RUZDIDTESA-N
XLogP4.55
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.55
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-(2-pyridin-3-ylpiperidin-1-yl)but-2-yn-1-ol
CID 4837486
(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-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
(4R)-4,7-dimethyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]oct-2-yn-4-ol
CID 7070083
(1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol
CID 11871008
(4R)-4-methyl-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]oct-7-en-2-yn-4-ol
CID 7327608
[(2S)-2-methyl-1-phenyl-5-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pent-3-yn-2-yl] acetate
CID 7327890
2-(2-bicyclo[2.2.1]hept-5-enyl)-5-(2-pyridin-3-ylpiperidin-1-yl)pent-3-yn-2-ol
CID 4966714
(4R)-8-methoxy-4,8-dimethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]non-2-yn-4-ol
CID 11870956
(4R,8S,12R)-4,8,12,16-tetramethyl-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]heptadec-2-yn-4-ol
CID 25427498

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol?
The IUPAC name of 1,1-diphenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol (CID 7069904) is 1,1-diphenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol.
What is the SMILES notation for 1,1-diphenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol?
The canonical SMILES for 1,1-diphenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol is OC(C#CCN1CCCC[C@@H]1c1cccnc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol?
The InChIKey is VFORLDQRPVZGNE-RUZDIDTESA-N. The full InChI is InChI=1S/C26H26N2O/c29-26(23-12-3-1-4-13-23,24-14-5-2-6-15-24)17-10-20-28-19-8-7-16-25(28)22-11-9-18-27-21-22/h1-6,9,11-15,18,21,25,29H,7-8,16,19-20H2/t25-/m1/s1.
What are the key properties of 1,1-diphenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol?
1,1-diphenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol has a molecular weight of 382.51 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol is sourced from PubChem (CID 7069904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).