3-hept-6-enylpiperidin-4-ol

C12H23NO — CID 107010041

IUPAC3-hept-6-enylpiperidin-4-ol
SMILESC=CCCCCCC1CNCCC1O
InChIInChI=1S/C12H23NO/c1-2-3-4-5-6-7-11-10-13-9-8-12(11)14/h2,11-14H,1,3-10H2
InChIKeyWKYKDOHXNCXYPD-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds6

About 3-hept-6-enylpiperidin-4-ol

3-hept-6-enylpiperidin-4-ol (PubChem CID 107010041) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-hept-6-enylpiperidin-4-ol.

Molecular Properties

Compound Name3-hept-6-enylpiperidin-4-ol
PubChem CID107010041
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-hept-6-enylpiperidin-4-ol
SMILESC=CCCCCCC1CNCCC1O
InChIInChI=1S/C12H23NO/c1-2-3-4-5-6-7-11-10-13-9-8-12(11)14/h2,11-14H,1,3-10H2
InChIKeyWKYKDOHXNCXYPD-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol
CID 175499380
3-But-3-enyl-3-fluoropiperidin-4-ol
CID 175499396
3-Prop-2-enylpiperidin-4-ol
CID 55300262
2,2,6,6-Tetrakis(prop-2-enyl)piperidin-4-ol
CID 67332700
1-Piperidin-3-ylbut-3-en-1-ol
CID 80560183
3-But-3-enylpiperidin-4-ol
CID 114451881
5-Piperidin-4-ylpent-1-en-3-ol
CID 118964334
1-(3-Hydroxypropylamino)-2-methylnon-8-en-1-ol
CID 123988888
1-[(1R)-cyclohex-2-en-1-yl]-3-(methylamino)propan-1-ol
CID 141795329
(3S)-2,3-bis(ethenyl)-6-methylpiperidin-4-ol
CID 141979418
2-(Piperidin-4-ylmethyl)but-3-en-1-ol
CID 142260790
2-Butyl-3-(2-ethenyl-6-ethylcyclohexyl)-5,6-dimethylpiperidin-4-ol
CID 155323889

Frequently Asked Questions

What is the IUPAC name of 3-hept-6-enylpiperidin-4-ol?
The IUPAC name of 3-hept-6-enylpiperidin-4-ol (CID 107010041) is 3-hept-6-enylpiperidin-4-ol.
What is the SMILES notation for 3-hept-6-enylpiperidin-4-ol?
The canonical SMILES for 3-hept-6-enylpiperidin-4-ol is C=CCCCCCC1CNCCC1O.
What is the InChIKey of 3-hept-6-enylpiperidin-4-ol?
The InChIKey is WKYKDOHXNCXYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-5-6-7-11-10-13-9-8-12(11)14/h2,11-14H,1,3-10H2.
What are the key properties of 3-hept-6-enylpiperidin-4-ol?
3-hept-6-enylpiperidin-4-ol has a molecular weight of 197.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-6-enylpiperidin-4-ol is sourced from PubChem (CID 107010041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).