2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile

C11H20N2 — CID 130735374

IUPAC2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile
SMILESCC1CCCN(C(C)C(C)C#N)C1
InChIInChI=1S/C11H20N2/c1-9-5-4-6-13(8-9)11(3)10(2)7-12/h9-11H,4-6,8H2,1-3H3
InChIKeyYKKKOERSRCQXBA-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.27
Rot. Bonds2

About 2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile

2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile (PubChem CID 130735374) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile
PubChem CID130735374
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile
SMILESCC1CCCN(C(C)C(C)C#N)C1
InChIInChI=1S/C11H20N2/c1-9-5-4-6-13(8-9)11(3)10(2)7-12/h9-11H,4-6,8H2,1-3H3
InChIKeyYKKKOERSRCQXBA-UHFFFAOYSA-N
XLogP2.27
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-3-(3-methylpiperidin-1-yl)butanenitrile
CID 164657695
methyl 2-methyl-3-(3-methylpiperidin-1-yl)butanoate
CID 79406800
2-(2-methoxyphenyl)-2-(3-methylpiperidin-1-yl)acetonitrile
CID 84756823
2-(3-methylpiperidin-1-yl)-2-(4-nitrophenyl)acetonitrile
CID 84756807
(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid
CID 42307253
N,N-diethyl-1-(3-methylpiperidin-1-yl)ethanamine
CID 168861294
2-(3-methylpiperidin-1-yl)-2-[4-(trifluoromethyl)phenyl]acetonitrile
CID 84756828
(2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid
CID 42309455
ethane;3-methylpiperidine-1-carbonitrile
CID 144937261
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
3-amino-2-(3-methylpiperidin-1-yl)propanal
CID 174430520
2-[4-(diethylamino)phenyl]-2-(3-methylpiperidin-1-yl)acetonitrile
CID 84756826

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile?
The IUPAC name of 2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile (CID 130735374) is 2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile.
What is the SMILES notation for 2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile?
The canonical SMILES for 2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile is CC1CCCN(C(C)C(C)C#N)C1.
What is the InChIKey of 2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile?
The InChIKey is YKKKOERSRCQXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9-5-4-6-13(8-9)11(3)10(2)7-12/h9-11H,4-6,8H2,1-3H3.
What are the key properties of 2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile?
2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile has a molecular weight of 180.29 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylpiperidin-1-yl)butanenitrile is sourced from PubChem (CID 130735374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).