4-(5-methylpiperidin-2-yl)cyclohex-3-en-1-ol

C12H21NO — CID 164753318

IUPAC4-(5-methylpiperidin-2-yl)cyclohex-3-en-1-ol
SMILESCC1CCC(C2=CCC(O)CC2)NC1
InChIInChI=1S/C12H21NO/c1-9-2-7-12(13-8-9)10-3-5-11(14)6-4-10/h3,9,11-14H,2,4-8H2,1H3
InChIKeySLUZJSMBMAITKM-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.85
Rot. Bonds1

About 4-(5-methylpiperidin-2-yl)cyclohex-3-en-1-ol

4-(5-methylpiperidin-2-yl)cyclohex-3-en-1-ol (PubChem CID 164753318) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(5-methylpiperidin-2-yl)cyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-(5-methylpiperidin-2-yl)cyclohex-3-en-1-ol
PubChem CID164753318
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(5-methylpiperidin-2-yl)cyclohex-3-en-1-ol
SMILESCC1CCC(C2=CCC(O)CC2)NC1
InChIInChI=1S/C12H21NO/c1-9-2-7-12(13-8-9)10-3-5-11(14)6-4-10/h3,9,11-14H,2,4-8H2,1H3
InChIKeySLUZJSMBMAITKM-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.85
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 4-(5-methylpiperidin-2-yl)cyclohex-3-en-1-ol?
The IUPAC name of 4-(5-methylpiperidin-2-yl)cyclohex-3-en-1-ol (CID 164753318) is 4-(5-methylpiperidin-2-yl)cyclohex-3-en-1-ol.
What is the SMILES notation for 4-(5-methylpiperidin-2-yl)cyclohex-3-en-1-ol?
The canonical SMILES for 4-(5-methylpiperidin-2-yl)cyclohex-3-en-1-ol is CC1CCC(C2=CCC(O)CC2)NC1.
What is the InChIKey of 4-(5-methylpiperidin-2-yl)cyclohex-3-en-1-ol?
The InChIKey is SLUZJSMBMAITKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-2-7-12(13-8-9)10-3-5-11(14)6-4-10/h3,9,11-14H,2,4-8H2,1H3.
What are the key properties of 4-(5-methylpiperidin-2-yl)cyclohex-3-en-1-ol?
4-(5-methylpiperidin-2-yl)cyclohex-3-en-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylpiperidin-2-yl)cyclohex-3-en-1-ol is sourced from PubChem (CID 164753318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).