methyl 4-cyclohexa-1,5-dien-1-ylpiperidine-1-carboxylate

C13H19NO2 — CID 173044728

IUPACmethyl 4-cyclohexa-1,5-dien-1-ylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C2=CCCC=C2)CC1
InChIInChI=1S/C13H19NO2/c1-16-13(15)14-9-7-12(8-10-14)11-5-3-2-4-6-11/h3,5-6,12H,2,4,7-10H2,1H3
InChIKeyQPANELOPNHPMET-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.74
Rot. Bonds1

About methyl 4-cyclohexa-1,5-dien-1-ylpiperidine-1-carboxylate

methyl 4-cyclohexa-1,5-dien-1-ylpiperidine-1-carboxylate (PubChem CID 173044728) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl 4-cyclohexa-1,5-dien-1-ylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclohexa-1,5-dien-1-ylpiperidine-1-carboxylate
PubChem CID173044728
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl 4-cyclohexa-1,5-dien-1-ylpiperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C2=CCCC=C2)CC1
InChIInChI=1S/C13H19NO2/c1-16-13(15)14-9-7-12(8-10-14)11-5-3-2-4-6-11/h3,5-6,12H,2,4,7-10H2,1H3
InChIKeyQPANELOPNHPMET-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl 4-cyclohexa-1,5-dien-1-ylpiperidine-1-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-methylperoxycyclohexyl)cyclohexa-1,3-diene
CID 144554520
methyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 70180289
methyl 4-bromopiperidine-1-carboxylate
CID 174906499
tert-butyl 4-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]piperidine-1-carboxylate
CID 177197713
CID 123981313
CID 123981313
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693
methyl 3,4-dihydroxypiperidine-1-carboxylate
CID 12575843
tert-butyl 4-(cyclohexa-1,5-diene-1-carbonylcarbamoylamino)piperidine-1-carboxylate
CID 142926902
methyl 4-cyclopentylpiperazine-1-carboxylate
CID 110708898
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
methyl 4-(5-methyl-2,5-dihydro-1,2,4-oxadiazol-3-yl)piperidine-1-carboxylate
CID 177064461
methyl 4-[(3,5-dichlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754243

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclohexa-1,5-dien-1-ylpiperidine-1-carboxylate?
The IUPAC name of methyl 4-cyclohexa-1,5-dien-1-ylpiperidine-1-carboxylate (CID 173044728) is methyl 4-cyclohexa-1,5-dien-1-ylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 4-cyclohexa-1,5-dien-1-ylpiperidine-1-carboxylate?
The canonical SMILES for methyl 4-cyclohexa-1,5-dien-1-ylpiperidine-1-carboxylate is COC(=O)N1CCC(C2=CCCC=C2)CC1.
What is the InChIKey of methyl 4-cyclohexa-1,5-dien-1-ylpiperidine-1-carboxylate?
The InChIKey is QPANELOPNHPMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-13(15)14-9-7-12(8-10-14)11-5-3-2-4-6-11/h3,5-6,12H,2,4,7-10H2,1H3.
What are the key properties of methyl 4-cyclohexa-1,5-dien-1-ylpiperidine-1-carboxylate?
methyl 4-cyclohexa-1,5-dien-1-ylpiperidine-1-carboxylate has a molecular weight of 221.30 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclohexa-1,5-dien-1-ylpiperidine-1-carboxylate is sourced from PubChem (CID 173044728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).