(4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone

C14H21NO2 — CID 71065608

IUPAC(4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
SMILESCCC1=CC=C(C(=O)N2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C14H21NO2/c1-2-11-5-7-12(8-6-11)14(17)15-9-3-4-13(16)10-15/h5,7,13,16H,2-4,6,8-10H2,1H3/t13-/m1/s1
InChIKeyPDGOJZLMCDAGOE-CYBMUJFWSA-N
MW235.33 g/mol
LogP2.03
Rot. Bonds2

About (4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone

(4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 71065608) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
PubChem CID71065608
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
SMILESCCC1=CC=C(C(=O)N2CCC[C@@H](O)C2)CC1
InChIInChI=1S/C14H21NO2/c1-2-11-5-7-12(8-6-11)14(17)15-9-3-4-13(16)10-15/h5,7,13,16H,2-4,6,8-10H2,1H3/t13-/m1/s1
InChIKeyPDGOJZLMCDAGOE-CYBMUJFWSA-N
XLogP2.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone 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 (4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone (CID 71065608) is (4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone is CCC1=CC=C(C(=O)N2CCC[C@@H](O)C2)CC1.
What is the InChIKey of (4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is PDGOJZLMCDAGOE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-11-5-7-12(8-6-11)14(17)15-9-3-4-13(16)10-15/h5,7,13,16H,2-4,6,8-10H2,1H3/t13-/m1/s1.
What are the key properties of (4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone?
(4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 235.33 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexa-1,3-dien-1-yl)-[(3R)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 71065608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).