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

C12H21NO — CID 164752961

IUPAC3-(5-methylpiperidin-2-yl)cyclohex-2-en-1-ol
SMILESCC1CCC(C2=CC(O)CCC2)NC1
InChIInChI=1S/C12H21NO/c1-9-5-6-12(13-8-9)10-3-2-4-11(14)7-10/h7,9,11-14H,2-6,8H2,1H3
InChIKeyMFXRXCIWRAIOGF-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.85
Rot. Bonds1

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

3-(5-methylpiperidin-2-yl)cyclohex-2-en-1-ol (PubChem CID 164752961) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(5-methylpiperidin-2-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(5-methylpiperidin-2-yl)cyclohex-2-en-1-ol
PubChem CID164752961
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(5-methylpiperidin-2-yl)cyclohex-2-en-1-ol
SMILESCC1CCC(C2=CC(O)CCC2)NC1
InChIInChI=1S/C12H21NO/c1-9-5-6-12(13-8-9)10-3-2-4-11(14)7-10/h7,9,11-14H,2-6,8H2,1H3
InChIKeyMFXRXCIWRAIOGF-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 3-(5-methylpiperidin-2-yl)cyclohex-2-en-1-ol?
The IUPAC name of 3-(5-methylpiperidin-2-yl)cyclohex-2-en-1-ol (CID 164752961) is 3-(5-methylpiperidin-2-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 3-(5-methylpiperidin-2-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 3-(5-methylpiperidin-2-yl)cyclohex-2-en-1-ol is CC1CCC(C2=CC(O)CCC2)NC1.
What is the InChIKey of 3-(5-methylpiperidin-2-yl)cyclohex-2-en-1-ol?
The InChIKey is MFXRXCIWRAIOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-5-6-12(13-8-9)10-3-2-4-11(14)7-10/h7,9,11-14H,2-6,8H2,1H3.
What are the key properties of 3-(5-methylpiperidin-2-yl)cyclohex-2-en-1-ol?
3-(5-methylpiperidin-2-yl)cyclohex-2-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 3-(5-methylpiperidin-2-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 164752961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).