4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile

C13H24N2 — CID 102672948

IUPAC4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile
SMILESCC(C)CCCN1CCC(C)(C#N)CC1
InChIInChI=1S/C13H24N2/c1-12(2)5-4-8-15-9-6-13(3,11-14)7-10-15/h12H,4-10H2,1-3H3
InChIKeyPAEJYUIVISFHJX-UHFFFAOYSA-N
MW208.35 g/mol
LogP3.05
Rot. Bonds4

About 4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile

4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile (PubChem CID 102672948) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile
PubChem CID102672948
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile
SMILESCC(C)CCCN1CCC(C)(C#N)CC1
InChIInChI=1S/C13H24N2/c1-12(2)5-4-8-15-9-6-13(3,11-14)7-10-15/h12H,4-10H2,1-3H3
InChIKeyPAEJYUIVISFHJX-UHFFFAOYSA-N
XLogP3.05
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-(4-methylpentyl)piperidine;ethane
CID 142891140
1-(4-hydroxybutyl)-4-methylpiperidine-4-carbonitrile
CID 103994156
1-(2-fluoroethyl)-4-methylpiperidine-4-carbonitrile
CID 103993957
1-(2-ethoxyethyl)-4-methylpiperidine-4-carbonitrile
CID 103993940
3-methyl-1-pentylpyrrolidine-3-carbonitrile
CID 142123327
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carbonitrile
CID 103994003
1-(4-methylpentyl)-4-(2-methylpropyl)piperazine
CID 21131473
4-methyl-1-[2-(trifluoromethoxy)ethyl]piperidine-4-carbonitrile
CID 107160799
2-(4-cyano-4-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
CID 113363017
2-[4-(4-methylpentyl)piperazin-1-yl]ethanamine
CID 83155367
1-hydroxy-4-(4-methylpentyl)piperazine
CID 59781141
2-[4-(4-methylpentyl)piperazin-1-yl]pentanenitrile
CID 83156288

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile?
The IUPAC name of 4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile (CID 102672948) is 4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile.
What is the SMILES notation for 4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile?
The canonical SMILES for 4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile is CC(C)CCCN1CCC(C)(C#N)CC1.
What is the InChIKey of 4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile?
The InChIKey is PAEJYUIVISFHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-12(2)5-4-8-15-9-6-13(3,11-14)7-10-15/h12H,4-10H2,1-3H3.
What are the key properties of 4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile?
4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile has a molecular weight of 208.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylpentyl)piperidine-4-carbonitrile is sourced from PubChem (CID 102672948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).