4-[2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethyl]piperidine

C14H21N — CID 91179659

IUPAC4-[2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethyl]piperidine
SMILESCC1C=CC=CC1=CCC1CCNCC1
InChIInChI=1S/C14H21N/c1-12-4-2-3-5-14(12)7-6-13-8-10-15-11-9-13/h2-5,7,12-13,15H,6,8-11H2,1H3
InChIKeyKXVGRSCRXVAFPH-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.06
Rot. Bonds2

About 4-[2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethyl]piperidine

4-[2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethyl]piperidine (PubChem CID 91179659) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-[2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethyl]piperidine.

Molecular Properties

Compound Name4-[2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethyl]piperidine
PubChem CID91179659
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name4-[2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethyl]piperidine
SMILESCC1C=CC=CC1=CCC1CCNCC1
InChIInChI=1S/C14H21N/c1-12-4-2-3-5-14(12)7-6-13-8-10-15-11-9-13/h2-5,7,12-13,15H,6,8-11H2,1H3
InChIKeyKXVGRSCRXVAFPH-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Octahydro 4,4'-bipyridyl
CID 4867470
Pyridine, 1,2,3,6-tetrahydro-4-(4-piperidinyl)-
CID 5231471
1,2,3,4,10a,10b-Hexahydrobenzo[f]isoquinoline
CID 53797068
Hexahydroisoquinoline
CID 54394851
3-Azabicyclo[3.3.1]non-6-ene
CID 55300222
1-Methylenetetrahydroisoquinoline
CID 66925930
Octahydro-benz[g]isochinoline
CID 129648171
2-Ethyltetrahydroisoquinoline
CID 129739616
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperidine
CID 68363150
5-(Fluoromethyl)-6-piperidin-4-yl-1,2-dihydropyridine
CID 69107959
1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethyl]piperidine?
The IUPAC name of 4-[2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethyl]piperidine (CID 91179659) is 4-[2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethyl]piperidine.
What is the SMILES notation for 4-[2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethyl]piperidine?
The canonical SMILES for 4-[2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethyl]piperidine is CC1C=CC=CC1=CCC1CCNCC1.
What is the InChIKey of 4-[2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethyl]piperidine?
The InChIKey is KXVGRSCRXVAFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-12-4-2-3-5-14(12)7-6-13-8-10-15-11-9-13/h2-5,7,12-13,15H,6,8-11H2,1H3.
What are the key properties of 4-[2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethyl]piperidine?
4-[2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethyl]piperidine has a molecular weight of 203.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methylcyclohexa-2,4-dien-1-ylidene)ethyl]piperidine is sourced from PubChem (CID 91179659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).