1-amino-4-piperidin-4-ylbutan-2-one

C9H18N2O — CID 56994536

IUPAC1-amino-4-piperidin-4-ylbutan-2-one
SMILESNCC(=O)CCC1CCNCC1
InChIInChI=1S/C9H18N2O/c10-7-9(12)2-1-8-3-5-11-6-4-8/h8,11H,1-7,10H2
InChIKeyCEUPGUFUAMHPDW-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.29
Rot. Bonds4

About 1-amino-4-piperidin-4-ylbutan-2-one

1-amino-4-piperidin-4-ylbutan-2-one (PubChem CID 56994536) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-amino-4-piperidin-4-ylbutan-2-one.

Molecular Properties

Compound Name1-amino-4-piperidin-4-ylbutan-2-one
PubChem CID56994536
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-amino-4-piperidin-4-ylbutan-2-one
SMILESNCC(=O)CCC1CCNCC1
InChIInChI=1S/C9H18N2O/c10-7-9(12)2-1-8-3-5-11-6-4-8/h8,11H,1-7,10H2
InChIKeyCEUPGUFUAMHPDW-UHFFFAOYSA-N
XLogP0.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-4-ylhept-5-yn-3-one
CID 116563317
5-methyl-1-piperidin-4-ylheptan-3-one
CID 116563326
N-(3-aminopropyl)-3-piperidin-4-ylpropanamide
CID 62211796
6-methylsulfonyl-1-piperidin-4-ylhexan-3-one
CID 116563332
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
acetic acid;3-piperidin-4-ylpropanoyl chloride
CID 174419355
2-piperidin-4-ylethanamine;trihydrochloride
CID 140995710
1-pyrrolidin-3-ylhexan-3-one
CID 116605913
1-ethylsulfonyl-3-piperidin-4-ylpropan-1-one
CID 117125827
3-[(3R)-pyrrolidin-3-yl]propanamide
CID 174976551
propanoyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 174378538
2-piperidin-4-ylethyl butanoate
CID 174737441

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-piperidin-4-ylbutan-2-one?
The IUPAC name of 1-amino-4-piperidin-4-ylbutan-2-one (CID 56994536) is 1-amino-4-piperidin-4-ylbutan-2-one.
What is the SMILES notation for 1-amino-4-piperidin-4-ylbutan-2-one?
The canonical SMILES for 1-amino-4-piperidin-4-ylbutan-2-one is NCC(=O)CCC1CCNCC1.
What is the InChIKey of 1-amino-4-piperidin-4-ylbutan-2-one?
The InChIKey is CEUPGUFUAMHPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c10-7-9(12)2-1-8-3-5-11-6-4-8/h8,11H,1-7,10H2.
What are the key properties of 1-amino-4-piperidin-4-ylbutan-2-one?
1-amino-4-piperidin-4-ylbutan-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-piperidin-4-ylbutan-2-one is sourced from PubChem (CID 56994536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).