1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol

C15H19NO — CID 2840251

IUPAC1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol
SMILESOC(C#CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C15H19NO/c17-15(14-8-3-1-4-9-14)10-7-13-16-11-5-2-6-12-16/h1,3-4,8-9,15,17H,2,5-6,11-13H2
InChIKeyZVAYTFMPEMZEEJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.21
Rot. Bonds2

About 1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol

1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol (PubChem CID 2840251) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol.

Molecular Properties

Compound Name1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol
PubChem CID2840251
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol
SMILESOC(C#CCN1CCCCC1)c1ccccc1
InChIInChI=1S/C15H19NO/c17-15(14-8-3-1-4-9-14)10-7-13-16-11-5-2-6-12-16/h1,3-4,8-9,15,17H,2,5-6,11-13H2
InChIKeyZVAYTFMPEMZEEJ-UHFFFAOYSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-5-(azepan-1-yl)-2-(benzylamino)pent-3-yn-1-ol
CID 1392681
1,5-diphenylpent-2-yne-1,5-diol
CID 581819
(1S)-1-phenyl-4-[(2R)-2-pyridin-3-ylpiperidin-1-yl]but-2-yn-1-ol
CID 11871008
2-(benzylamino)-5-pyrrolidin-1-ylpent-3-yn-1-ol
CID 6612508
1-phenyl-3-(4-piperidin-1-ylphenyl)prop-2-yn-1-ol
CID 69128866
4-(dicyclohexylamino)-1-phenylbut-2-yn-1-ol
CID 101372468
2-methyl-3-phenyl-6-piperidin-1-ylhex-4-yn-3-ol
CID 3147113
(3S)-2-methyl-3-phenyl-6-piperidin-1-ylhex-4-yn-3-ol
CID 831838
(1R)-1,5-diphenylpent-2-yn-1-ol
CID 15880987
2-phenyl-3-piperidin-1-ylpropanoic acid;hydrochloride
CID 67449753
3-phenylprop-1-yne-1,3-diol
CID 67894112
(1R,4R)-1-phenyl-5-piperidin-1-ylpent-2-ene-1,4-diol
CID 177487208

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol?
The IUPAC name of 1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol (CID 2840251) is 1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol.
What is the SMILES notation for 1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol?
The canonical SMILES for 1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol is OC(C#CCN1CCCCC1)c1ccccc1.
What is the InChIKey of 1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol?
The InChIKey is ZVAYTFMPEMZEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c17-15(14-8-3-1-4-9-14)10-7-13-16-11-5-2-6-12-16/h1,3-4,8-9,15,17H,2,5-6,11-13H2.
What are the key properties of 1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol?
1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol has a molecular weight of 229.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol is sourced from PubChem (CID 2840251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).