2-amino-1-(3-methylpiperidin-3-yl)ethanone

C8H16N2O — CID 115012172

IUPAC2-amino-1-(3-methylpiperidin-3-yl)ethanone
SMILESCC1(C(=O)CN)CCCNC1
InChIInChI=1S/C8H16N2O/c1-8(7(11)5-9)3-2-4-10-6-8/h10H,2-6,9H2,1H3
InChIKeyUQULVYACVYBAKF-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.10
Rot. Bonds2

About 2-amino-1-(3-methylpiperidin-3-yl)ethanone

2-amino-1-(3-methylpiperidin-3-yl)ethanone (PubChem CID 115012172) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-amino-1-(3-methylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(3-methylpiperidin-3-yl)ethanone
PubChem CID115012172
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-amino-1-(3-methylpiperidin-3-yl)ethanone
SMILESCC1(C(=O)CN)CCCNC1
InChIInChI=1S/C8H16N2O/c1-8(7(11)5-9)3-2-4-10-6-8/h10H,2-6,9H2,1H3
InChIKeyUQULVYACVYBAKF-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

4,4,4-trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one
CID 116569546
4-methyl-1-(3-methylpiperidin-3-yl)pent-4-en-1-one
CID 114477930
1-(3-methylpiperidin-3-yl)heptan-1-one
CID 116569464
3-methylpiperidine-3-carbohydrazide
CID 63991806
ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
CID 91828144
1-(3-methylpiperidin-3-yl)-2-propoxyethanone
CID 116569485
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
2-(4-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569459
ethyl (3S)-3-methylazepane-3-carboxylate
CID 124785367
2-(4-chlorophenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569296
2-(2-methylphenyl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569463
cyclopropylmethyl 3-methylpiperidine-3-carboxylate
CID 63134595

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methylpiperidin-3-yl)ethanone?
The IUPAC name of 2-amino-1-(3-methylpiperidin-3-yl)ethanone (CID 115012172) is 2-amino-1-(3-methylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2-amino-1-(3-methylpiperidin-3-yl)ethanone?
The canonical SMILES for 2-amino-1-(3-methylpiperidin-3-yl)ethanone is CC1(C(=O)CN)CCCNC1.
What is the InChIKey of 2-amino-1-(3-methylpiperidin-3-yl)ethanone?
The InChIKey is UQULVYACVYBAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(7(11)5-9)3-2-4-10-6-8/h10H,2-6,9H2,1H3.
What are the key properties of 2-amino-1-(3-methylpiperidin-3-yl)ethanone?
2-amino-1-(3-methylpiperidin-3-yl)ethanone 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 2-amino-1-(3-methylpiperidin-3-yl)ethanone is sourced from PubChem (CID 115012172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).