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

C10H19N3 — CID 115313000

IUPAC2-(4-amino-2-methylpiperidin-1-yl)butanenitrile
SMILESCCC(C#N)N1CCC(N)CC1C
InChIInChI=1S/C10H19N3/c1-3-10(7-11)13-5-4-9(12)6-8(13)2/h8-10H,3-6,12H2,1-2H3
InChIKeySDOYWRDBGUFYBX-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.10
Rot. Bonds2

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

2-(4-amino-2-methylpiperidin-1-yl)butanenitrile (PubChem CID 115313000) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(4-amino-2-methylpiperidin-1-yl)butanenitrile.

Molecular Properties

Compound Name2-(4-amino-2-methylpiperidin-1-yl)butanenitrile
PubChem CID115313000
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name2-(4-amino-2-methylpiperidin-1-yl)butanenitrile
SMILESCCC(C#N)N1CCC(N)CC1C
InChIInChI=1S/C10H19N3/c1-3-10(7-11)13-5-4-9(12)6-8(13)2/h8-10H,3-6,12H2,1-2H3
InChIKeySDOYWRDBGUFYBX-UHFFFAOYSA-N
XLogP1.10
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-4-ethylpiperidin-1-yl]butanenitrile
CID 103353322
2-[2-(aminomethyl)pyrrolidin-1-yl]butanenitrile
CID 115312740
2-(4-amino-2-methylpiperidin-1-yl)acetonitrile
CID 115313042
2-[(3R)-3-aminopiperidin-1-yl]butanenitrile
CID 102985382
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanenitrile
CID 55207107
1-[1-(4-fluorophenyl)propyl]-2-methylpiperidin-4-amine
CID 113284289
1-[1-(4-methoxyphenyl)propyl]-2-methylpiperidin-4-amine
CID 115311931
2-(4-amino-2-methylpiperidin-1-yl)-N-propylpropanamide
CID 115313029
2-[2-[(propan-2-ylamino)methyl]piperidin-1-yl]butanenitrile
CID 63848896
2-[(1R,6R)-7-azabicyclo[4.2.0]octan-7-yl]butanenitrile
CID 130719228
1-(3-ethylpentan-3-yl)-2-methylpiperidin-4-amine
CID 65039089
2-(4-amino-2-methylpiperidin-1-yl)-N-(methylcarbamoyl)propanamide
CID 115313018

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-methylpiperidin-1-yl)butanenitrile?
The IUPAC name of 2-(4-amino-2-methylpiperidin-1-yl)butanenitrile (CID 115313000) is 2-(4-amino-2-methylpiperidin-1-yl)butanenitrile.
What is the SMILES notation for 2-(4-amino-2-methylpiperidin-1-yl)butanenitrile?
The canonical SMILES for 2-(4-amino-2-methylpiperidin-1-yl)butanenitrile is CCC(C#N)N1CCC(N)CC1C.
What is the InChIKey of 2-(4-amino-2-methylpiperidin-1-yl)butanenitrile?
The InChIKey is SDOYWRDBGUFYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-10(7-11)13-5-4-9(12)6-8(13)2/h8-10H,3-6,12H2,1-2H3.
What are the key properties of 2-(4-amino-2-methylpiperidin-1-yl)butanenitrile?
2-(4-amino-2-methylpiperidin-1-yl)butanenitrile has a molecular weight of 181.28 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-methylpiperidin-1-yl)butanenitrile is sourced from PubChem (CID 115313000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).