1-piperidin-3-ylhex-4-yn-1-ol

C11H19NO — CID 104809639

IUPAC1-piperidin-3-ylhex-4-yn-1-ol
SMILESCC#CCCC(O)C1CCCNC1
InChIInChI=1S/C11H19NO/c1-2-3-4-7-11(13)10-6-5-8-12-9-10/h10-13H,4-9H2,1H3
InChIKeyBUVCCWZQCRURBH-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.15
Rot. Bonds3

About 1-piperidin-3-ylhex-4-yn-1-ol

1-piperidin-3-ylhex-4-yn-1-ol (PubChem CID 104809639) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-piperidin-3-ylhex-4-yn-1-ol.

Molecular Properties

Compound Name1-piperidin-3-ylhex-4-yn-1-ol
PubChem CID104809639
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-piperidin-3-ylhex-4-yn-1-ol
SMILESCC#CCCC(O)C1CCCNC1
InChIInChI=1S/C11H19NO/c1-2-3-4-7-11(13)10-6-5-8-12-9-10/h10-13H,4-9H2,1H3
InChIKeyBUVCCWZQCRURBH-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-1-piperidin-3-ylpropan-1-ol
CID 82596067
1-(azepan-3-yl)pentan-1-ol
CID 67828850
5,5,5-trifluoro-1-piperidin-3-ylpentan-1-ol
CID 115515680
(1R)-2-cyclopropyl-1-[(3S)-piperidin-3-yl]ethanol
CID 124570391
2-cyclobutyl-1-piperidin-3-ylethanol
CID 105440851
3-methyl-1-piperidin-3-ylpentan-1-ol
CID 80559058
piperidin-3-ylmethanediol
CID 5231808
3-(oxolan-2-yl)-1-piperidin-3-ylpropan-1-ol
CID 80559198
1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-ol
CID 104803923
1-(2-methylcyclopentyl)hex-4-yn-1-ol
CID 107192887
1-(1,1-dioxothiolan-3-yl)hex-4-yn-1-ol
CID 104804177
cyclopentyl(piperidin-3-yl)methanol
CID 80560291

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-ylhex-4-yn-1-ol?
The IUPAC name of 1-piperidin-3-ylhex-4-yn-1-ol (CID 104809639) is 1-piperidin-3-ylhex-4-yn-1-ol.
What is the SMILES notation for 1-piperidin-3-ylhex-4-yn-1-ol?
The canonical SMILES for 1-piperidin-3-ylhex-4-yn-1-ol is CC#CCCC(O)C1CCCNC1.
What is the InChIKey of 1-piperidin-3-ylhex-4-yn-1-ol?
The InChIKey is BUVCCWZQCRURBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-4-7-11(13)10-6-5-8-12-9-10/h10-13H,4-9H2,1H3.
What are the key properties of 1-piperidin-3-ylhex-4-yn-1-ol?
1-piperidin-3-ylhex-4-yn-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-ylhex-4-yn-1-ol is sourced from PubChem (CID 104809639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).