2-(3-methylbutyl)piperidine-2-carbonitrile

C11H20N2 — CID 130542472

IUPAC2-(3-methylbutyl)piperidine-2-carbonitrile
SMILESCC(C)CCC1(C#N)CCCCN1
InChIInChI=1S/C11H20N2/c1-10(2)5-7-11(9-12)6-3-4-8-13-11/h10,13H,3-8H2,1-2H3
InChIKeyXAGPUSNNGIGSGQ-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.46
Rot. Bonds3

About 2-(3-methylbutyl)piperidine-2-carbonitrile

2-(3-methylbutyl)piperidine-2-carbonitrile (PubChem CID 130542472) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-(3-methylbutyl)piperidine-2-carbonitrile.

Molecular Properties

Compound Name2-(3-methylbutyl)piperidine-2-carbonitrile
PubChem CID130542472
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name2-(3-methylbutyl)piperidine-2-carbonitrile
SMILESCC(C)CCC1(C#N)CCCCN1
InChIInChI=1S/C11H20N2/c1-10(2)5-7-11(9-12)6-3-4-8-13-11/h10,13H,3-8H2,1-2H3
InChIKeyXAGPUSNNGIGSGQ-UHFFFAOYSA-N
XLogP2.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoroethyl)piperidine-2-carbonitrile
CID 126980040
2-(2-hydroxyethyl)piperidine-2-carbonitrile
CID 130542465
2-[(1-methylcyclobutyl)methyl]piperidine-2-carbonitrile
CID 130601880
2-propan-2-ylpiperidine-2-carbonitrile
CID 84649702
2-(3-fluoro-2-hydroxypropyl)pyrrolidine-2-carbonitrile
CID 131009586
2-(3-methylbutyl)-2-(2-methylpropyl)pyrrolidine
CID 66468119
2-(thiadiazol-4-ylmethyl)piperidine-2-carbonitrile
CID 130550060
1-(4-methylpentyl)cyclobutane-1-carbonitrile
CID 83168144
1-(3-methylbutyl)-1-propan-2-ylcyclopentane
CID 140662970
3-(3-methylbutyl)spiro[3.4]octan-3-ol
CID 164664315
1-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile
CID 67455046
2-(2-methylpropyl)-2-propan-2-ylazepane
CID 79119427

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)piperidine-2-carbonitrile?
The IUPAC name of 2-(3-methylbutyl)piperidine-2-carbonitrile (CID 130542472) is 2-(3-methylbutyl)piperidine-2-carbonitrile.
What is the SMILES notation for 2-(3-methylbutyl)piperidine-2-carbonitrile?
The canonical SMILES for 2-(3-methylbutyl)piperidine-2-carbonitrile is CC(C)CCC1(C#N)CCCCN1.
What is the InChIKey of 2-(3-methylbutyl)piperidine-2-carbonitrile?
The InChIKey is XAGPUSNNGIGSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)5-7-11(9-12)6-3-4-8-13-11/h10,13H,3-8H2,1-2H3.
What are the key properties of 2-(3-methylbutyl)piperidine-2-carbonitrile?
2-(3-methylbutyl)piperidine-2-carbonitrile has a molecular weight of 180.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)piperidine-2-carbonitrile is sourced from PubChem (CID 130542472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).