2-[(3R)-3-aminopiperidin-1-yl]butanenitrile

C9H17N3 — CID 102985382

IUPAC2-[(3R)-3-aminopiperidin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCC[C@@H](N)C1
InChIInChI=1S/C9H17N3/c1-2-9(6-10)12-5-3-4-8(11)7-12/h8-9H,2-5,7,11H2,1H3/t8-,9?/m1/s1
InChIKeyIHSRMWVUASVGHF-VEDVMXKPSA-N
MW167.26 g/mol
LogP0.71
Rot. Bonds2

About 2-[(3R)-3-aminopiperidin-1-yl]butanenitrile

2-[(3R)-3-aminopiperidin-1-yl]butanenitrile (PubChem CID 102985382) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]butanenitrile.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]butanenitrile
PubChem CID102985382
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]butanenitrile
SMILESCCC(C#N)N1CCC[C@@H](N)C1
InChIInChI=1S/C9H17N3/c1-2-9(6-10)12-5-3-4-8(11)7-12/h8-9H,2-5,7,11H2,1H3/t8-,9?/m1/s1
InChIKeyIHSRMWVUASVGHF-VEDVMXKPSA-N
XLogP0.71
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-hydroxyethyl)piperidin-1-yl]butanenitrile
CID 62357327
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]butanenitrile
CID 63849371
2-(3-hydroxypyrrolidin-1-yl)butanenitrile
CID 62916642
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)butanenitrile
CID 79931868
1-[1-(4-methylphenyl)propyl]piperidin-3-amine
CID 61297923
1-(4-methylpentan-2-yl)piperidin-3-amine
CID 61295686
(3R)-1-but-3-yn-2-ylpiperidin-3-amine
CID 102985169
2-[2-(aminomethyl)pyrrolidin-1-yl]butanenitrile
CID 115312740
ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate
CID 102984888
2-(4-amino-2-methylpiperidin-1-yl)butanenitrile
CID 115313000
2-[4-(propylaminomethyl)piperidin-1-yl]butanenitrile
CID 63847362
(3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride
CID 166000535

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]butanenitrile?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]butanenitrile (CID 102985382) is 2-[(3R)-3-aminopiperidin-1-yl]butanenitrile.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]butanenitrile?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]butanenitrile is CCC(C#N)N1CCC[C@@H](N)C1.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]butanenitrile?
The InChIKey is IHSRMWVUASVGHF-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H17N3/c1-2-9(6-10)12-5-3-4-8(11)7-12/h8-9H,2-5,7,11H2,1H3/t8-,9?/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]butanenitrile?
2-[(3R)-3-aminopiperidin-1-yl]butanenitrile has a molecular weight of 167.26 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]butanenitrile is sourced from PubChem (CID 102985382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).