2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone

C9H18N2O — CID 24697792

IUPAC2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CN)C1
InChIInChI=1S/C9H18N2O/c1-7-3-8(2)6-11(5-7)9(12)4-10/h7-8H,3-6,10H2,1-2H3
InChIKeyHXDDYMWEWOFXKX-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.45
Rot. Bonds1

About 2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone

2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 24697792) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID24697792
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CN)C1
InChIInChI=1S/C9H18N2O/c1-7-3-8(2)6-11(5-7)9(12)4-10/h7-8H,3-6,10H2,1-2H3
InChIKeyHXDDYMWEWOFXKX-UHFFFAOYSA-N
XLogP0.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]butane-1,3-dione
CID 26026135
2-amino-N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60847225
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-5-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pentane-1,5-dione
CID 896367
3-chloro-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 40560802
2-[4-(aminomethyl)phenyl]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 63589232
2-amino-1-[(1S,5S)-6-methoxy-3-azabicyclo[3.1.1]heptan-3-yl]ethanone
CID 129498097
2-amino-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 130636624
2-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(3,5-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119925999
4-amino-1-(3,5-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 80542198
methyl 4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-4-oxobutanoate
CID 94020551
5-bromo-1-(3,5-dimethylpiperidin-1-yl)pentan-1-one
CID 107907086
1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072460

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 24697792) is 2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone is CC1CC(C)CN(C(=O)CN)C1.
What is the InChIKey of 2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is HXDDYMWEWOFXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-3-8(2)6-11(5-7)9(12)4-10/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 170.26 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 24697792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).