2-methyl-2-piperidin-1-ylbutanenitrile

C10H18N2 — CID 43802933

IUPAC2-methyl-2-piperidin-1-ylbutanenitrile
SMILESCCC(C)(C#N)N1CCCCC1
InChIInChI=1S/C10H18N2/c1-3-10(2,9-11)12-7-5-4-6-8-12/h3-8H2,1-2H3
InChIKeyLHMQKFVHWCJBNX-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.16
Rot. Bonds2

About 2-methyl-2-piperidin-1-ylbutanenitrile

2-methyl-2-piperidin-1-ylbutanenitrile (PubChem CID 43802933) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-methyl-2-piperidin-1-ylbutanenitrile.

Molecular Properties

Compound Name2-methyl-2-piperidin-1-ylbutanenitrile
PubChem CID43802933
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-methyl-2-piperidin-1-ylbutanenitrile
SMILESCCC(C)(C#N)N1CCCCC1
InChIInChI=1S/C10H18N2/c1-3-10(2,9-11)12-7-5-4-6-8-12/h3-8H2,1-2H3
InChIKeyLHMQKFVHWCJBNX-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azepan-1-yl)-2-methylnonanenitrile
CID 63407747
2-(azepan-1-yl)-2-ethylbutanenitrile
CID 61058557
3-(furan-2-yl)-2-methyl-2-piperidin-1-ylpropanenitrile
CID 82079350
2-(azepan-1-yl)-2-methyl-3-(1H-pyrrol-2-yl)propanenitrile
CID 84751682
2-methyl-2-piperidin-1-yl-3-thiophen-2-ylpropanenitrile
CID 82083214
2-(azepan-1-yl)-3-(2-fluorophenyl)-2-methylpropanenitrile
CID 84751667
2-(azepan-1-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile
CID 84751674
2-(azepan-1-yl)-3-(2-hydroxy-5-methylphenyl)-2-methylpropanenitrile
CID 84751679
2-ethyl-4-methyl-2-piperidin-1-ylhexanenitrile
CID 43802873
2-(1,4-diazepan-1-yl)-2-methyloctanenitrile
CID 54889153
3-(3-ethoxy-2-hydroxyphenyl)-2-methyl-2-piperidin-1-ylpropanenitrile
CID 84750326
2-methyl-2-pyrrol-1-ylbutanenitrile
CID 79686860

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-1-ylbutanenitrile?
The IUPAC name of 2-methyl-2-piperidin-1-ylbutanenitrile (CID 43802933) is 2-methyl-2-piperidin-1-ylbutanenitrile.
What is the SMILES notation for 2-methyl-2-piperidin-1-ylbutanenitrile?
The canonical SMILES for 2-methyl-2-piperidin-1-ylbutanenitrile is CCC(C)(C#N)N1CCCCC1.
What is the InChIKey of 2-methyl-2-piperidin-1-ylbutanenitrile?
The InChIKey is LHMQKFVHWCJBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-10(2,9-11)12-7-5-4-6-8-12/h3-8H2,1-2H3.
What are the key properties of 2-methyl-2-piperidin-1-ylbutanenitrile?
2-methyl-2-piperidin-1-ylbutanenitrile has a molecular weight of 166.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-1-ylbutanenitrile is sourced from PubChem (CID 43802933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).