5-methyl-6-piperidin-1-ylhex-4-en-2-ol

C12H23NO — CID 54481819

IUPAC5-methyl-6-piperidin-1-ylhex-4-en-2-ol
SMILESCC(=CCC(C)O)CN1CCCCC1
InChIInChI=1S/C12H23NO/c1-11(6-7-12(2)14)10-13-8-4-3-5-9-13/h6,12,14H,3-5,7-10H2,1-2H3
InChIKeyXPNGYTJPSGWCLM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds4

About 5-methyl-6-piperidin-1-ylhex-4-en-2-ol

5-methyl-6-piperidin-1-ylhex-4-en-2-ol (PubChem CID 54481819) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 5-methyl-6-piperidin-1-ylhex-4-en-2-ol.

Molecular Properties

Compound Name5-methyl-6-piperidin-1-ylhex-4-en-2-ol
PubChem CID54481819
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name5-methyl-6-piperidin-1-ylhex-4-en-2-ol
SMILESCC(=CCC(C)O)CN1CCCCC1
InChIInChI=1S/C12H23NO/c1-11(6-7-12(2)14)10-13-8-4-3-5-9-13/h6,12,14H,3-5,7-10H2,1-2H3
InChIKeyXPNGYTJPSGWCLM-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
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 5-methyl-6-piperidin-1-ylhex-4-en-2-ol?
The IUPAC name of 5-methyl-6-piperidin-1-ylhex-4-en-2-ol (CID 54481819) is 5-methyl-6-piperidin-1-ylhex-4-en-2-ol.
What is the SMILES notation for 5-methyl-6-piperidin-1-ylhex-4-en-2-ol?
The canonical SMILES for 5-methyl-6-piperidin-1-ylhex-4-en-2-ol is CC(=CCC(C)O)CN1CCCCC1.
What is the InChIKey of 5-methyl-6-piperidin-1-ylhex-4-en-2-ol?
The InChIKey is XPNGYTJPSGWCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(6-7-12(2)14)10-13-8-4-3-5-9-13/h6,12,14H,3-5,7-10H2,1-2H3.
What are the key properties of 5-methyl-6-piperidin-1-ylhex-4-en-2-ol?
5-methyl-6-piperidin-1-ylhex-4-en-2-ol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-piperidin-1-ylhex-4-en-2-ol is sourced from PubChem (CID 54481819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).