1-(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol

C13H21NO — CID 134375505

IUPAC1-(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol
SMILESCC(O)C1(C2=CC=CCC2)CCNCC1
InChIInChI=1S/C13H21NO/c1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12/h2-3,5,11,14-15H,4,6-10H2,1H3
InChIKeyQENQAJFBHCJRBR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.01
Rot. Bonds2

About 1-(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol

1-(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol (PubChem CID 134375505) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol
PubChem CID134375505
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol
SMILESCC(O)C1(C2=CC=CCC2)CCNCC1
InChIInChI=1S/C13H21NO/c1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12/h2-3,5,11,14-15H,4,6-10H2,1H3
InChIKeyQENQAJFBHCJRBR-UHFFFAOYSA-N
XLogP2.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol?
The IUPAC name of 1-(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol (CID 134375505) is 1-(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol.
What is the SMILES notation for 1-(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol?
The canonical SMILES for 1-(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol is CC(O)C1(C2=CC=CCC2)CCNCC1.
What is the InChIKey of 1-(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol?
The InChIKey is QENQAJFBHCJRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(15)13(7-9-14-10-8-13)12-5-3-2-4-6-12/h2-3,5,11,14-15H,4,6-10H2,1H3.
What are the key properties of 1-(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol?
1-(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol has a molecular weight of 207.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexa-1,3-dien-1-ylpiperidin-4-yl)ethanol is sourced from PubChem (CID 134375505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).