2-methyl-3-(4-methylpent-3-enyl)piperidin-3-ol

C12H23NO — CID 164654060

IUPAC2-methyl-3-(4-methylpent-3-enyl)piperidin-3-ol
SMILESCC(C)=CCCC1(O)CCCNC1C
InChIInChI=1S/C12H23NO/c1-10(2)6-4-7-12(14)8-5-9-13-11(12)3/h6,11,13-14H,4-5,7-9H2,1-3H3
InChIKeyKCEIRAFHBAFCGT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds3

About 2-methyl-3-(4-methylpent-3-enyl)piperidin-3-ol

2-methyl-3-(4-methylpent-3-enyl)piperidin-3-ol (PubChem CID 164654060) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-methyl-3-(4-methylpent-3-enyl)piperidin-3-ol.

Molecular Properties

Compound Name2-methyl-3-(4-methylpent-3-enyl)piperidin-3-ol
PubChem CID164654060
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-methyl-3-(4-methylpent-3-enyl)piperidin-3-ol
SMILESCC(C)=CCCC1(O)CCCNC1C
InChIInChI=1S/C12H23NO/c1-10(2)6-4-7-12(14)8-5-9-13-11(12)3/h6,11,13-14H,4-5,7-9H2,1-3H3
InChIKeyKCEIRAFHBAFCGT-UHFFFAOYSA-N
XLogP2.24
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-methylpent-3-enyl)piperidin-3-ol?
The IUPAC name of 2-methyl-3-(4-methylpent-3-enyl)piperidin-3-ol (CID 164654060) is 2-methyl-3-(4-methylpent-3-enyl)piperidin-3-ol.
What is the SMILES notation for 2-methyl-3-(4-methylpent-3-enyl)piperidin-3-ol?
The canonical SMILES for 2-methyl-3-(4-methylpent-3-enyl)piperidin-3-ol is CC(C)=CCCC1(O)CCCNC1C.
What is the InChIKey of 2-methyl-3-(4-methylpent-3-enyl)piperidin-3-ol?
The InChIKey is KCEIRAFHBAFCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)6-4-7-12(14)8-5-9-13-11(12)3/h6,11,13-14H,4-5,7-9H2,1-3H3.
What are the key properties of 2-methyl-3-(4-methylpent-3-enyl)piperidin-3-ol?
2-methyl-3-(4-methylpent-3-enyl)piperidin-3-ol has a molecular weight of 197.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-methylpent-3-enyl)piperidin-3-ol is sourced from PubChem (CID 164654060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).