1-amino-1-piperidin-3-ylpropan-2-one

C8H16N2O — CID 129030594

IUPAC1-amino-1-piperidin-3-ylpropan-2-one
SMILESCC(=O)C(N)C1CCCNC1
InChIInChI=1S/C8H16N2O/c1-6(11)8(9)7-3-2-4-10-5-7/h7-8,10H,2-5,9H2,1H3
InChIKeyLLJMHOJFGJQPQP-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.10
Rot. Bonds2

About 1-amino-1-piperidin-3-ylpropan-2-one

1-amino-1-piperidin-3-ylpropan-2-one (PubChem CID 129030594) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-amino-1-piperidin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-amino-1-piperidin-3-ylpropan-2-one
PubChem CID129030594
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-amino-1-piperidin-3-ylpropan-2-one
SMILESCC(=O)C(N)C1CCCNC1
InChIInChI=1S/C8H16N2O/c1-6(11)8(9)7-3-2-4-10-5-7/h7-8,10H,2-5,9H2,1H3
InChIKeyLLJMHOJFGJQPQP-UHFFFAOYSA-N
XLogP-0.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-amino-2-[(3R)-piperidin-3-yl]acetate
CID 86307985
methyl 3-oxo-2-piperidin-3-ylbutanoate
CID 67652399
(1S)-1-amino-1-cyclohexylpropan-2-one
CID 59946338
1-amino-1-cycloheptylpropan-2-one
CID 54549167
cyclopropyl-[(3R)-piperidin-3-yl]methanamine
CID 70133311
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131134166
(2R)-2-amino-N-(1-piperidin-3-ylethyl)propanamide
CID 131038230
2,2-dimethyl-1-piperidin-3-ylpropan-1-amine
CID 116935763
methyl 3-methyl-2-piperidin-3-ylbutanoate
CID 83880549
(3R)-3-[(3S)-piperidin-3-yl]pentanoic acid
CID 95732457

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-piperidin-3-ylpropan-2-one?
The IUPAC name of 1-amino-1-piperidin-3-ylpropan-2-one (CID 129030594) is 1-amino-1-piperidin-3-ylpropan-2-one.
What is the SMILES notation for 1-amino-1-piperidin-3-ylpropan-2-one?
The canonical SMILES for 1-amino-1-piperidin-3-ylpropan-2-one is CC(=O)C(N)C1CCCNC1.
What is the InChIKey of 1-amino-1-piperidin-3-ylpropan-2-one?
The InChIKey is LLJMHOJFGJQPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(11)8(9)7-3-2-4-10-5-7/h7-8,10H,2-5,9H2,1H3.
What are the key properties of 1-amino-1-piperidin-3-ylpropan-2-one?
1-amino-1-piperidin-3-ylpropan-2-one has a molecular weight of 156.23 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-piperidin-3-ylpropan-2-one is sourced from PubChem (CID 129030594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).