2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile

C11H20N2 — CID 142228000

IUPAC2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile
SMILESCC(C#N)CCC1CCN(C)CC1
InChIInChI=1S/C11H20N2/c1-10(9-12)3-4-11-5-7-13(2)8-6-11/h10-11H,3-8H2,1-2H3
InChIKeySSFPHJMTRBWVSJ-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.27
Rot. Bonds3

About 2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile

2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile (PubChem CID 142228000) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile.

Molecular Properties

Compound Name2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile
PubChem CID142228000
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile
SMILESCC(C#N)CCC1CCN(C)CC1
InChIInChI=1S/C11H20N2/c1-10(9-12)3-4-11-5-7-13(2)8-6-11/h10-11H,3-8H2,1-2H3
InChIKeySSFPHJMTRBWVSJ-UHFFFAOYSA-N
XLogP2.27
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(1-methylpiperidin-4-yl)butanenitrile;ethane;molecular hydrogen
CID 142227898
3-methyl-2-[(1-methylpyrrolidin-3-yl)methyl]butanenitrile
CID 116931781
1-methyl-3-(3-methylbutyl)pyrrolidine
CID 58945066
1-methyl-4-[2-(4-propan-2-ylcyclohexyl)ethyl]piperidine
CID 178033502
2-methyl-3-[1-(1-methylpiperidin-4-yl)ethylamino]propanenitrile
CID 62648155
2-methyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
CID 63274039
ethane;1-methyl-4-(3-methylbutyl)piperidine;4-methyl-1-(3-methylbutyl)piperidine
CID 176985881
4-(2-chloroethyl)-1-methylpiperidine
CID 22568277
2-cyclopropyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-(propan-2-ylamino)propanenitrile
CID 63907289
1-methyl-4-[2-(1-methylpiperidin-4-yl)ethyl]piperazine
CID 21129707
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 115876275
1-methyl-4-(2-methylpropyl)azepane
CID 123252209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile?
The IUPAC name of 2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile (CID 142228000) is 2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile.
What is the SMILES notation for 2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile?
The canonical SMILES for 2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile is CC(C#N)CCC1CCN(C)CC1.
What is the InChIKey of 2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile?
The InChIKey is SSFPHJMTRBWVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-10(9-12)3-4-11-5-7-13(2)8-6-11/h10-11H,3-8H2,1-2H3.
What are the key properties of 2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile?
2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile has a molecular weight of 180.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylpiperidin-4-yl)butanenitrile is sourced from PubChem (CID 142228000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).