1-methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile

C13H18N2 — CID 118944743

IUPAC1-methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile
SMILESCC1(C#N)C=CC(N2CCCCC2)=CC1
InChIInChI=1S/C13H18N2/c1-13(11-14)7-5-12(6-8-13)15-9-3-2-4-10-15/h5-7H,2-4,8-10H2,1H3
InChIKeyIDFMAALLXUIRIZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.85
Rot. Bonds1

About 1-methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile

1-methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile (PubChem CID 118944743) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile.

Molecular Properties

Compound Name1-methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile
PubChem CID118944743
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile
SMILESCC1(C#N)C=CC(N2CCCCC2)=CC1
InChIInChI=1S/C13H18N2/c1-13(11-14)7-5-12(6-8-13)15-9-3-2-4-10-15/h5-7H,2-4,8-10H2,1H3
InChIKeyIDFMAALLXUIRIZ-UHFFFAOYSA-N
XLogP2.85
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.85
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
Magnesium;1-(3-tert-butylbenzene-2-id-1-yl)piperidine;bromide
CID 57533575
Lithium 1-(3-tert-butylbenzene-6-id-1-yl)piperidine
CID 57533908
1-(3,5,5-Trimethylcyclohexa-1,3-dien-1-yl)piperidine
CID 67556456
2-[4-[Cyclohexa-1,5-dien-1-yl(cyclohexa-2,4-dien-1-yl)amino]cyclohexa-1,3-dien-1-yl]-2-methylpropanenitrile
CID 71085630
1-(4-Methylcyclohexa-1,5-dien-1-yl)piperidine
CID 89214016
1-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]piperidine
CID 89265376
1-Cyclohexa-1,5-dien-1-yl-4,4-dimethylpiperidine
CID 91068305
1-ethyl-4-(1-methyl-2H-pyridin-2-yl)piperidine-4-carbonitrile
CID 123180651
4-[5-(Dimethylamino)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile
CID 123618379
1-Methyl-2-(piperidin-1-ylmethyl)cyclohexa-2,4-diene-1-carbonitrile
CID 123661461
4-[5-(Aziridin-1-yl)penta-2,4-dienyl]-1-ethylpiperidine-4-carbonitrile
CID 123804150

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile?
The IUPAC name of 1-methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile (CID 118944743) is 1-methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile.
What is the SMILES notation for 1-methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile?
The canonical SMILES for 1-methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile is CC1(C#N)C=CC(N2CCCCC2)=CC1.
What is the InChIKey of 1-methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile?
The InChIKey is IDFMAALLXUIRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-13(11-14)7-5-12(6-8-13)15-9-3-2-4-10-15/h5-7H,2-4,8-10H2,1H3.
What are the key properties of 1-methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile?
1-methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile has a molecular weight of 202.30 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-piperidin-1-ylcyclohexa-2,4-diene-1-carbonitrile is sourced from PubChem (CID 118944743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).