3-amino-1-(2-methylpiperidin-1-yl)propan-1-one

C9H18N2O — CID 16796103

IUPAC3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1C(=O)CCN
InChIInChI=1S/C9H18N2O/c1-8-4-2-3-7-11(8)9(12)5-6-10/h8H,2-7,10H2,1H3
InChIKeyXOLCLLAEGSANBM-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.74
Rot. Bonds2

About 3-amino-1-(2-methylpiperidin-1-yl)propan-1-one

3-amino-1-(2-methylpiperidin-1-yl)propan-1-one (PubChem CID 16796103) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-amino-1-(2-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
PubChem CID16796103
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCCN1C(=O)CCN
InChIInChI=1S/C9H18N2O/c1-8-4-2-3-7-11(8)9(12)5-6-10/h8H,2-7,10H2,1H3
InChIKeyXOLCLLAEGSANBM-UHFFFAOYSA-N
XLogP0.74
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
1-(2-methylpiperidin-1-yl)dodecan-1-one
CID 3275984
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037
4-amino-3,3-dimethyl-1-[(2S)-2-methylpiperidin-1-yl]butan-1-one
CID 145040283
2-chloro-1-(2-methylazepan-1-yl)ethanone
CID 21490096
1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
N'-hydroxy-3-(2-methylazepan-1-yl)-3-oxopropanimidamide
CID 77021433
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
methyl 3-[methyl-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 62011671
2-[2-(aminomethyl)phenyl]-1-(2-methylazepan-1-yl)ethanone
CID 81322400

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(2-methylpiperidin-1-yl)propan-1-one (CID 16796103) is 3-amino-1-(2-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-methylpiperidin-1-yl)propan-1-one is CC1CCCCN1C(=O)CCN.
What is the InChIKey of 3-amino-1-(2-methylpiperidin-1-yl)propan-1-one?
The InChIKey is XOLCLLAEGSANBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8-4-2-3-7-11(8)9(12)5-6-10/h8H,2-7,10H2,1H3.
What are the key properties of 3-amino-1-(2-methylpiperidin-1-yl)propan-1-one?
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one has a molecular weight of 170.26 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 16796103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).