4-(2,4-diethylcyclohexa-1,5-dien-1-yl)-1-pent-1-en-2-ylpiperidine

C20H33N — CID 129268824

IUPAC4-(2,4-diethylcyclohexa-1,5-dien-1-yl)-1-pent-1-en-2-ylpiperidine
SMILESC=C(CCC)N1CCC(C2=C(CC)CC(CC)C=C2)CC1
InChIInChI=1S/C20H33N/c1-5-8-16(4)21-13-11-19(12-14-21)20-10-9-17(6-2)15-18(20)7-3/h9-10,17,19H,4-8,11-15H2,1-3H3
InChIKeyHQMHGDMKXALTOI-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.70
Rot. Bonds6

About 4-(2,4-diethylcyclohexa-1,5-dien-1-yl)-1-pent-1-en-2-ylpiperidine

4-(2,4-diethylcyclohexa-1,5-dien-1-yl)-1-pent-1-en-2-ylpiperidine (PubChem CID 129268824) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 4-(2,4-diethylcyclohexa-1,5-dien-1-yl)-1-pent-1-en-2-ylpiperidine.

Molecular Properties

Compound Name4-(2,4-diethylcyclohexa-1,5-dien-1-yl)-1-pent-1-en-2-ylpiperidine
PubChem CID129268824
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name4-(2,4-diethylcyclohexa-1,5-dien-1-yl)-1-pent-1-en-2-ylpiperidine
SMILESC=C(CCC)N1CCC(C2=C(CC)CC(CC)C=C2)CC1
InChIInChI=1S/C20H33N/c1-5-8-16(4)21-13-11-19(12-14-21)20-10-9-17(6-2)15-18(20)7-3/h9-10,17,19H,4-8,11-15H2,1-3H3
InChIKeyHQMHGDMKXALTOI-UHFFFAOYSA-N
XLogP5.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-((r,s)-6-Methyl-cyclohex-1-enyl)-piperidine
CID 15514600
1-methyl-3,4,4a,5,6,7-hexahydro-2H-quinoline
CID 57260617
N-allyltetrahydroquinoline
CID 69120580
N-Methyl-tetrahydrochinolin
CID 69139421
N-butyltetrahydroquinoline
CID 70628816
Dimethyl hexahydroquinoline
CID 129883835
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-3-[(6-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylideneocta-1,3,6-trien-2-amine
CID 132123933
(3Z,6Z)-N-ethyl-4-fluoro-6-methyl-N-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-5-methylidene-3-(3-methyl-2-prop-1-en-2-ylpentyl)octa-1,3,6-trien-2-amine
CID 132123939
(3Z,6Z)-N-[(4,4-dimethylcyclohex-2-en-1-yl)methyl]-N-ethyl-3-[(Z)-1-fluoro-3-methyl-2-methylidenepent-3-enylidene]-4-methylnona-1,6,8-trien-2-amine
CID 132124064
(6E)-6-[(E,2E)-3-ethyl-2-ethylidene-4-methylhex-3-enylidene]-1-[(4-fluoro-4-methylcyclohexyl)methyl]-4-methyl-5-methylidene-2H-pyridine
CID 135295121
4-Fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine
CID 155197687
1-[(Z)-1-cyclohexylprop-1-enyl]piperidine
CID 14248043

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diethylcyclohexa-1,5-dien-1-yl)-1-pent-1-en-2-ylpiperidine?
The IUPAC name of 4-(2,4-diethylcyclohexa-1,5-dien-1-yl)-1-pent-1-en-2-ylpiperidine (CID 129268824) is 4-(2,4-diethylcyclohexa-1,5-dien-1-yl)-1-pent-1-en-2-ylpiperidine.
What is the SMILES notation for 4-(2,4-diethylcyclohexa-1,5-dien-1-yl)-1-pent-1-en-2-ylpiperidine?
The canonical SMILES for 4-(2,4-diethylcyclohexa-1,5-dien-1-yl)-1-pent-1-en-2-ylpiperidine is C=C(CCC)N1CCC(C2=C(CC)CC(CC)C=C2)CC1.
What is the InChIKey of 4-(2,4-diethylcyclohexa-1,5-dien-1-yl)-1-pent-1-en-2-ylpiperidine?
The InChIKey is HQMHGDMKXALTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-5-8-16(4)21-13-11-19(12-14-21)20-10-9-17(6-2)15-18(20)7-3/h9-10,17,19H,4-8,11-15H2,1-3H3.
What are the key properties of 4-(2,4-diethylcyclohexa-1,5-dien-1-yl)-1-pent-1-en-2-ylpiperidine?
4-(2,4-diethylcyclohexa-1,5-dien-1-yl)-1-pent-1-en-2-ylpiperidine has a molecular weight of 287.49 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diethylcyclohexa-1,5-dien-1-yl)-1-pent-1-en-2-ylpiperidine is sourced from PubChem (CID 129268824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).