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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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).