1-(2-methylpropyl)piperidine-4-carbonitrile

C10H18N2 — CID 39236120

IUPAC1-(2-methylpropyl)piperidine-4-carbonitrile
SMILESCC(C)CN1CCC(C#N)CC1
InChIInChI=1S/C10H18N2/c1-9(2)8-12-5-3-10(7-11)4-6-12/h9-10H,3-6,8H2,1-2H3
InChIKeyGXIPKXGZNFGGEB-UHFFFAOYSA-N
MW166.27 g/mol
LogP1.88
Rot. Bonds2

About 1-(2-methylpropyl)piperidine-4-carbonitrile

1-(2-methylpropyl)piperidine-4-carbonitrile (PubChem CID 39236120) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-(2-methylpropyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2-methylpropyl)piperidine-4-carbonitrile
PubChem CID39236120
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-(2-methylpropyl)piperidine-4-carbonitrile
SMILESCC(C)CN1CCC(C#N)CC1
InChIInChI=1S/C10H18N2/c1-9(2)8-12-5-3-10(7-11)4-6-12/h9-10H,3-6,8H2,1-2H3
InChIKeyGXIPKXGZNFGGEB-UHFFFAOYSA-N
XLogP1.88
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(2-methylpropyl)pyrrolidine-3-carbonitrile
CID 171515513
1-(2-hydroxybutyl)piperidine-4-carbonitrile
CID 63631900
1-(2,2-diethoxyethyl)piperidine-4-carbonitrile
CID 75507355
1-(3-methylbutyl)azepane-4-carbonitrile
CID 118000507
ethane;1-ethylpiperidine-4-carbonitrile
CID 178029721
1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile
CID 63979053
4-chloro-1-(2-methylpropyl)piperidine
CID 63389166
3-[1-(2-methylpropyl)piperidin-4-yl]-3-oxopropanenitrile
CID 174621646
2-(4-cyanopiperidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 48966293
1-[2-(methylamino)ethyl]piperidine-4-carbonitrile
CID 164650482
1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine
CID 155459870
1-methylpiperidine-4-carbonitrile
CID 11789206

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2-methylpropyl)piperidine-4-carbonitrile (CID 39236120) is 1-(2-methylpropyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2-methylpropyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2-methylpropyl)piperidine-4-carbonitrile is CC(C)CN1CCC(C#N)CC1.
What is the InChIKey of 1-(2-methylpropyl)piperidine-4-carbonitrile?
The InChIKey is GXIPKXGZNFGGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(2)8-12-5-3-10(7-11)4-6-12/h9-10H,3-6,8H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)piperidine-4-carbonitrile?
1-(2-methylpropyl)piperidine-4-carbonitrile has a molecular weight of 166.27 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)piperidine-4-carbonitrile is sourced from PubChem (CID 39236120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).