3-but-3-enyl-6-methylpiperidin-3-ol

C10H19NO — CID 130806333

IUPAC3-but-3-enyl-6-methylpiperidin-3-ol
SMILESC=CCCC1(O)CCC(C)NC1
InChIInChI=1S/C10H19NO/c1-3-4-6-10(12)7-5-9(2)11-8-10/h3,9,11-12H,1,4-8H2,2H3
InChIKeyABQICKKJLJHZQJ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds3

About 3-but-3-enyl-6-methylpiperidin-3-ol

3-but-3-enyl-6-methylpiperidin-3-ol (PubChem CID 130806333) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-but-3-enyl-6-methylpiperidin-3-ol.

Molecular Properties

Compound Name3-but-3-enyl-6-methylpiperidin-3-ol
PubChem CID130806333
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-but-3-enyl-6-methylpiperidin-3-ol
SMILESC=CCCC1(O)CCC(C)NC1
InChIInChI=1S/C10H19NO/c1-3-4-6-10(12)7-5-9(2)11-8-10/h3,9,11-12H,1,4-8H2,2H3
InChIKeyABQICKKJLJHZQJ-UHFFFAOYSA-N
XLogP1.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.46
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

2-(5-Methylidenepiperidin-2-yl)propan-2-ol
CID 123222464
3-But-3-enylpiperidin-3-ol
CID 130835884
(4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol
CID 170636685
(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
(3S)-3-prop-2-enylpiperidin-3-ol
CID 177330119
(3R,6R)-6-ethenyl-3-methylpiperidin-3-ol
CID 178106236
(2R,3R,6R)-6-(2-methylpropyl)-2-prop-2-enylpiperidin-1-ium-3-ol
CID 21607941
(2R,3R,6R)-6-(2-methylpropyl)-2-prop-2-enylpiperidin-3-ol
CID 21607942
4-Piperidin-2-ylhepta-1,6-dien-4-ol
CID 23007806
1-[(Pent-4-enylamino)methyl]cyclohexan-1-ol
CID 65108686
1-[(Hept-6-en-3-ylamino)methyl]cyclopentan-1-ol
CID 75428093

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-6-methylpiperidin-3-ol?
The IUPAC name of 3-but-3-enyl-6-methylpiperidin-3-ol (CID 130806333) is 3-but-3-enyl-6-methylpiperidin-3-ol.
What is the SMILES notation for 3-but-3-enyl-6-methylpiperidin-3-ol?
The canonical SMILES for 3-but-3-enyl-6-methylpiperidin-3-ol is C=CCCC1(O)CCC(C)NC1.
What is the InChIKey of 3-but-3-enyl-6-methylpiperidin-3-ol?
The InChIKey is ABQICKKJLJHZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-4-6-10(12)7-5-9(2)11-8-10/h3,9,11-12H,1,4-8H2,2H3.
What are the key properties of 3-but-3-enyl-6-methylpiperidin-3-ol?
3-but-3-enyl-6-methylpiperidin-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-6-methylpiperidin-3-ol is sourced from PubChem (CID 130806333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).