1-cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine

C13H21N — CID 91068305

IUPAC1-cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine
SMILESCC1(C)CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C13H21N/c1-13(2)8-10-14(11-9-13)12-6-4-3-5-7-12/h4,6-7H,3,5,8-11H2,1-2H3
InChIKeyRNICVUXYMBSHGI-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.34
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine

1-cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine (PubChem CID 91068305) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine
PubChem CID91068305
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine
SMILESCC1(C)CCN(C2=CCCC=C2)CC1
InChIInChI=1S/C13H21N/c1-13(2)8-10-14(11-9-13)12-6-4-3-5-7-12/h4,6-7H,3,5,8-11H2,1-2H3
InChIKeyRNICVUXYMBSHGI-UHFFFAOYSA-N
XLogP3.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-Dimethylcyclohexen-1-yl)piperidine
CID 13827862
1-(3,3,5,5-Tetramethylcyclohex-1-en-1-yl)piperidine
CID 14892748
N-allyltetrahydroquinoline
CID 69120580
N-Methyl-tetrahydrochinolin
CID 69139421
N-butyltetrahydroquinoline
CID 70628816
1-[(4-Fluorocyclohexa-1,3-dien-1-yl)methyl]-4,4-dimethylpiperidine
CID 142044686
1-[1-(6-Fluoro-2-methylcyclohexa-1,3-dien-1-yl)propa-1,2-dienyl]piperidine
CID 142581038
1-(1,2-Difluorocyclohexa-2,4-dien-1-yl)-4,4-dimethylpiperidine
CID 151871891
4-Fluoro-1-(4-propan-2-ylcyclohexa-1,5-dien-1-yl)piperidine
CID 155197687
(2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3-fluoro-1-methylpiperidine
CID 162729153
1-(6-Fluorocyclohexa-1,5-dien-1-yl)-4-methylpiperidine
CID 173053608
2-Methyl-11-methylidene-2-azaspiro[5.5]undeca-7,9-diene
CID 10725931

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine (CID 91068305) is 1-cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine is CC1(C)CCN(C2=CCCC=C2)CC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine?
The InChIKey is RNICVUXYMBSHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-13(2)8-10-14(11-9-13)12-6-4-3-5-7-12/h4,6-7H,3,5,8-11H2,1-2H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine?
1-cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine has a molecular weight of 191.32 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine is sourced from PubChem (CID 91068305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).