1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine

C18H30N2 — CID 13211652

IUPAC1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine
SMILESCC1(C)C=C(N2CCCCC2)C=C(N2CCCCC2)C1
InChIInChI=1S/C18H30N2/c1-18(2)14-16(19-9-5-3-6-10-19)13-17(15-18)20-11-7-4-8-12-20/h13-14H,3-12,15H2,1-2H3
InChIKeyVEJZAXQCKFQEFQ-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.16
Rot. Bonds2

About 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine

1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine (PubChem CID 13211652) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine
PubChem CID13211652
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine
SMILESCC1(C)C=C(N2CCCCC2)C=C(N2CCCCC2)C1
InChIInChI=1S/C18H30N2/c1-18(2)14-16(19-9-5-3-6-10-19)13-17(15-18)20-11-7-4-8-12-20/h13-14H,3-12,15H2,1-2H3
InChIKeyVEJZAXQCKFQEFQ-UHFFFAOYSA-N
XLogP4.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Lithium 1-(3-tert-butylbenzene-2-id-1-yl)piperidine
CID 57532665
1-(3,5,5-Trimethylcyclohexa-1,3-dien-1-yl)piperidine
CID 67556456
1-Cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine
CID 91068305
1-Methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile
CID 118944743
2-[5-(2,2-dimethylpiperidin-1-yl)hexa-1,5-dien-2-yl]-3,4,6,7-tetrahydro-1H-isoquinoline
CID 134312092
1-(5-Ethylcyclohexa-1,5-dien-1-yl)-4-piperidin-1-ylpiperidine
CID 139400853
1-(3,3,5-Trimethylcyclohexa-1,5-dien-1-yl)piperidine
CID 140107082
1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine;ethane
CID 143257800
2,2-Dimethyl-7,8-dimethylidene-1,3,4,6-tetrahydroquinolizine
CID 144207140
carbanide;3-[(3Z)-5-methylhexa-1,3-dien-2-yl]-9-[(1E,3Z)-4-methylhexa-1,3,5-trienyl]-3,9-diazaspiro[5.5]undecane;yttrium;yttrium(3+)
CID 153618302
1-ethyl-2-methylidene-7-[1-methyl-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-yl]-4-piperidin-1-yl-5H-cyclohepta[b]pyridine
CID 155262859
N-[1-[1-(6,7-dihydronaphthalen-1-ylmethyl)-4-methylpiperidin-4-yl]ethenyl]-N-methylprop-2-en-1-amine
CID 155274273

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine?
The IUPAC name of 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine (CID 13211652) is 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine.
What is the SMILES notation for 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine?
The canonical SMILES for 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine is CC1(C)C=C(N2CCCCC2)C=C(N2CCCCC2)C1.
What is the InChIKey of 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine?
The InChIKey is VEJZAXQCKFQEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-18(2)14-16(19-9-5-3-6-10-19)13-17(15-18)20-11-7-4-8-12-20/h13-14H,3-12,15H2,1-2H3.
What are the key properties of 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine?
1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine has a molecular weight of 274.45 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-5-piperidin-1-ylcyclohexa-1,5-dien-1-yl)piperidine is sourced from PubChem (CID 13211652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).