1-(4-aminopiperidin-1-yl)ethanone;ethane

C9H20N2O — CID 142912103

IUPAC1-(4-aminopiperidin-1-yl)ethanone;ethane
SMILESCC.CC(=O)N1CCC(N)CC1
InChIInChI=1S/C7H14N2O.C2H6/c1-6(10)9-4-2-7(8)3-5-9;1-2/h7H,2-5,8H2,1H3;1-2H3
InChIKeyUWOPIFJZQWVUFM-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.98
Rot. Bonds

About 1-(4-aminopiperidin-1-yl)ethanone;ethane

1-(4-aminopiperidin-1-yl)ethanone;ethane (PubChem CID 142912103) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)ethanone;ethane.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)ethanone;ethane
PubChem CID142912103
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(4-aminopiperidin-1-yl)ethanone;ethane
SMILESCC.CC(=O)N1CCC(N)CC1
InChIInChI=1S/C7H14N2O.C2H6/c1-6(10)9-4-2-7(8)3-5-9;1-2/h7H,2-5,8H2,1H3;1-2H3
InChIKeyUWOPIFJZQWVUFM-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-aminopiperidin-1-yl)ethanone;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminopiperidin-1-yl)ethanone;pentane
CID 142969821
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
4-aminopiperidine-1-carbonyl iodide
CID 89243614
1-[4-[(3S)-3-aminopyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 129406555
1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone
CID 60894221
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
CID 110460861
1-(4-bromopiperidin-1-yl)ethanone
CID 22894003
1-(4-sulfanylpiperidin-1-yl)ethanone
CID 91167607
1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one
CID 71122882

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)ethanone;ethane?
The IUPAC name of 1-(4-aminopiperidin-1-yl)ethanone;ethane (CID 142912103) is 1-(4-aminopiperidin-1-yl)ethanone;ethane.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)ethanone;ethane?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)ethanone;ethane is CC.CC(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)ethanone;ethane?
The InChIKey is UWOPIFJZQWVUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6/c1-6(10)9-4-2-7(8)3-5-9;1-2/h7H,2-5,8H2,1H3;1-2H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)ethanone;ethane?
1-(4-aminopiperidin-1-yl)ethanone;ethane has a molecular weight of 172.27 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)ethanone;ethane is sourced from PubChem (CID 142912103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).