2,4-diamino-1-piperidin-1-ylbutan-1-one

C9H19N3O — CID 24906298

IUPAC2,4-diamino-1-piperidin-1-ylbutan-1-one
SMILESNCCC(N)C(=O)N1CCCCC1
InChIInChI=1S/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2
InChIKeyRKBKYSFKXFKBBM-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.32
Rot. Bonds3

About 2,4-diamino-1-piperidin-1-ylbutan-1-one

2,4-diamino-1-piperidin-1-ylbutan-1-one (PubChem CID 24906298) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,4-diamino-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name2,4-diamino-1-piperidin-1-ylbutan-1-one
PubChem CID24906298
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2,4-diamino-1-piperidin-1-ylbutan-1-one
SMILESNCCC(N)C(=O)N1CCCCC1
InChIInChI=1S/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2
InChIKeyRKBKYSFKXFKBBM-UHFFFAOYSA-N
XLogP-0.32
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
(5-amino-6-oxo-6-piperidin-1-ylhexyl)carbamic acid
CID 91486448
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
2-(4-aminobutan-2-ylsulfinyl)-1-piperidin-1-ylpropan-1-one
CID 81195879
2-(4-aminobutan-2-ylsulfanyl)-1-(azepan-1-yl)propan-1-one
CID 66228390
2-amino-4-(cyclohexylmethylamino)-1-piperidin-1-ylbutan-1-one;dihydrochloride
CID 69237745
2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119297853
2-amino-4-(dibenzylamino)-1-piperidin-1-ylbutan-1-one
CID 72975484
2-amino-1-(azocan-1-yl)-3-(4-hydroxyphenyl)propan-1-one
CID 76891869
2-(4-aminobutan-2-ylsulfonyl)-1-piperidin-1-ylethanone
CID 81195027
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 2,4-diamino-1-piperidin-1-ylbutan-1-one (CID 24906298) is 2,4-diamino-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 2,4-diamino-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 2,4-diamino-1-piperidin-1-ylbutan-1-one is NCCC(N)C(=O)N1CCCCC1.
What is the InChIKey of 2,4-diamino-1-piperidin-1-ylbutan-1-one?
The InChIKey is RKBKYSFKXFKBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c10-5-4-8(11)9(13)12-6-2-1-3-7-12/h8H,1-7,10-11H2.
What are the key properties of 2,4-diamino-1-piperidin-1-ylbutan-1-one?
2,4-diamino-1-piperidin-1-ylbutan-1-one has a molecular weight of 185.27 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 24906298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).