2-(4-methylpiperidin-2-yl)hex-5-en-2-ol

C12H23NO — CID 104656321

IUPAC2-(4-methylpiperidin-2-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)C1CC(C)CCN1
InChIInChI=1S/C12H23NO/c1-4-5-7-12(3,14)11-9-10(2)6-8-13-11/h4,10-11,13-14H,1,5-9H2,2-3H3
InChIKeyLOFXJESWSWQDDR-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds4

About 2-(4-methylpiperidin-2-yl)hex-5-en-2-ol

2-(4-methylpiperidin-2-yl)hex-5-en-2-ol (PubChem CID 104656321) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(4-methylpiperidin-2-yl)hex-5-en-2-ol.

Molecular Properties

Compound Name2-(4-methylpiperidin-2-yl)hex-5-en-2-ol
PubChem CID104656321
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(4-methylpiperidin-2-yl)hex-5-en-2-ol
SMILESC=CCCC(C)(O)C1CC(C)CCN1
InChIInChI=1S/C12H23NO/c1-4-5-7-12(3,14)11-9-10(2)6-8-13-11/h4,10-11,13-14H,1,5-9H2,2-3H3
InChIKeyLOFXJESWSWQDDR-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-prop-1-en-2-yl-2-(prop-2-enylamino)cyclohexan-1-ol
CID 70136490
[(2S,3S)-3-ethenylpiperidin-2-yl]methanol
CID 89269282
2-(5-Methylidenepiperidin-2-yl)propan-2-ol
CID 123222464
3-But-3-enylpiperidin-3-ol
CID 130835884
1-(6-methylcyclohexa-2,4-dien-1-yl)-1-[(2S)-piperidin-2-yl]ethanol
CID 138485561
1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol
CID 155141440
(1R)-1-cyclohexa-2,4-dien-1-yl-1-[(2S)-piperidin-2-yl]ethanol
CID 155698705
2,5-Bis(prop-2-enyl)piperidin-4-ol
CID 156496586
(4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol
CID 170636685
4-Cyclohexyl-3-(propan-2-ylamino)but-1-en-2-ol
CID 170714329
(3R)-3-methyl-6-prop-2-enylpiperidin-3-ol
CID 176175214
2-But-3-enyl-6-azaspiro[3.5]nonan-2-ol;ethane
CID 177329989

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-2-yl)hex-5-en-2-ol?
The IUPAC name of 2-(4-methylpiperidin-2-yl)hex-5-en-2-ol (CID 104656321) is 2-(4-methylpiperidin-2-yl)hex-5-en-2-ol.
What is the SMILES notation for 2-(4-methylpiperidin-2-yl)hex-5-en-2-ol?
The canonical SMILES for 2-(4-methylpiperidin-2-yl)hex-5-en-2-ol is C=CCCC(C)(O)C1CC(C)CCN1.
What is the InChIKey of 2-(4-methylpiperidin-2-yl)hex-5-en-2-ol?
The InChIKey is LOFXJESWSWQDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-5-7-12(3,14)11-9-10(2)6-8-13-11/h4,10-11,13-14H,1,5-9H2,2-3H3.
What are the key properties of 2-(4-methylpiperidin-2-yl)hex-5-en-2-ol?
2-(4-methylpiperidin-2-yl)hex-5-en-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-2-yl)hex-5-en-2-ol is sourced from PubChem (CID 104656321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).