(3S)-1-hex-3-yn-2-ylpiperidin-3-ol

C11H19NO — CID 127013295

IUPAC(3S)-1-hex-3-yn-2-ylpiperidin-3-ol
SMILESCCC#CC(C)N1CCC[C@H](O)C1
InChIInChI=1S/C11H19NO/c1-3-4-6-10(2)12-8-5-7-11(13)9-12/h10-11,13H,3,5,7-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyUGLYTZTVLOUATC-DTIOYNMSSA-N
MW181.28 g/mol
LogP1.25
Rot. Bonds1

About (3S)-1-hex-3-yn-2-ylpiperidin-3-ol

(3S)-1-hex-3-yn-2-ylpiperidin-3-ol (PubChem CID 127013295) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3S)-1-hex-3-yn-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-hex-3-yn-2-ylpiperidin-3-ol
PubChem CID127013295
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3S)-1-hex-3-yn-2-ylpiperidin-3-ol
SMILESCCC#CC(C)N1CCC[C@H](O)C1
InChIInChI=1S/C11H19NO/c1-3-4-6-10(2)12-8-5-7-11(13)9-12/h10-11,13H,3,5,7-9H2,1-2H3/t10?,11-/m0/s1
InChIKeyUGLYTZTVLOUATC-DTIOYNMSSA-N
XLogP1.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.25
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

1-(1-hydroxypropan-2-yl)piperidin-3-ol
CID 77452138
fluoromethane;1-propan-2-ylpiperidin-3-ol
CID 176976990
acetonitrile;1-propan-2-ylpiperidin-3-ol
CID 144865621
1-(1-cyclopropylethyl)piperidin-3-ol
CID 130668092
1-(1-cyclopropylpropan-2-yl)piperidin-3-ol
CID 130652123
(3R)-1-propan-2-ylazepan-3-ol
CID 162493716
2-[(3R)-3-hydroxypyrrolidin-1-yl]propanenitrile
CID 66291661
3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid
CID 107225641
2-(3-hydroxypiperidin-1-yl)-N-prop-2-ynylpropanamide
CID 60718862
butyl 2-(3-hydroxypiperidin-1-yl)propanoate
CID 111461830
methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
CID 107225880
1-(azepan-1-yl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60677400

Frequently Asked Questions

What is the IUPAC name of (3S)-1-hex-3-yn-2-ylpiperidin-3-ol?
The IUPAC name of (3S)-1-hex-3-yn-2-ylpiperidin-3-ol (CID 127013295) is (3S)-1-hex-3-yn-2-ylpiperidin-3-ol.
What is the SMILES notation for (3S)-1-hex-3-yn-2-ylpiperidin-3-ol?
The canonical SMILES for (3S)-1-hex-3-yn-2-ylpiperidin-3-ol is CCC#CC(C)N1CCC[C@H](O)C1.
What is the InChIKey of (3S)-1-hex-3-yn-2-ylpiperidin-3-ol?
The InChIKey is UGLYTZTVLOUATC-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H19NO/c1-3-4-6-10(2)12-8-5-7-11(13)9-12/h10-11,13H,3,5,7-9H2,1-2H3/t10?,11-/m0/s1.
What are the key properties of (3S)-1-hex-3-yn-2-ylpiperidin-3-ol?
(3S)-1-hex-3-yn-2-ylpiperidin-3-ol has a molecular weight of 181.28 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-hex-3-yn-2-ylpiperidin-3-ol is sourced from PubChem (CID 127013295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).