1-(cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol

C14H23NO — CID 87674939

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol
SMILESCCC1CC(O)CCN1CC1=CCCC=C1
InChIInChI=1S/C14H23NO/c1-2-13-10-14(16)8-9-15(13)11-12-6-4-3-5-7-12/h4,6-7,13-14,16H,2-3,5,8-11H2,1H3
InChIKeyDLDJYFKVBANTLJ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.50
Rot. Bonds3

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol

1-(cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol (PubChem CID 87674939) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol
PubChem CID87674939
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol
SMILESCCC1CC(O)CCN1CC1=CCCC=C1
InChIInChI=1S/C14H23NO/c1-2-13-10-14(16)8-9-15(13)11-12-6-4-3-5-7-12/h4,6-7,13-14,16H,2-3,5,8-11H2,1H3
InChIKeyDLDJYFKVBANTLJ-UHFFFAOYSA-N
XLogP2.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol 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-(cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol (CID 87674939) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol is CCC1CC(O)CCN1CC1=CCCC=C1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol?
The InChIKey is DLDJYFKVBANTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-13-10-14(16)8-9-15(13)11-12-6-4-3-5-7-12/h4,6-7,13-14,16H,2-3,5,8-11H2,1H3.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol?
1-(cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol has a molecular weight of 221.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol is sourced from PubChem (CID 87674939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).