1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine

C12H19N — CID 135293078

IUPAC1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine
SMILESCC1=CCC(N2CCCCC2)C=C1
InChIInChI=1S/C12H19N/c1-11-5-7-12(8-6-11)13-9-3-2-4-10-13/h5-7,12H,2-4,8-10H2,1H3
InChIKeyNBWWZLWQCUCCNY-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.75
Rot. Bonds1

About 1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine

1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine (PubChem CID 135293078) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine.

Molecular Properties

Compound Name1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine
PubChem CID135293078
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine
SMILESCC1=CCC(N2CCCCC2)C=C1
InChIInChI=1S/C12H19N/c1-11-5-7-12(8-6-11)13-9-3-2-4-10-13/h5-7,12H,2-4,8-10H2,1H3
InChIKeyNBWWZLWQCUCCNY-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine?
The IUPAC name of 1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine (CID 135293078) is 1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine.
What is the SMILES notation for 1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine?
The canonical SMILES for 1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine is CC1=CCC(N2CCCCC2)C=C1.
What is the InChIKey of 1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine?
The InChIKey is NBWWZLWQCUCCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-11-5-7-12(8-6-11)13-9-3-2-4-10-13/h5-7,12H,2-4,8-10H2,1H3.
What are the key properties of 1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine?
1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine has a molecular weight of 177.29 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexa-2,4-dien-1-yl)piperidine is sourced from PubChem (CID 135293078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).