2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride

C7H16ClN3O — CID 131106028

IUPAC2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCC(N)CC1
InChIInChI=1S/C7H15N3O.ClH/c8-5-7(11)10-3-1-6(9)2-4-10;/h6H,1-5,8-9H2;1H
InChIKeyTVXZWDJQUTYWJA-UHFFFAOYSA-N
MW193.68 g/mol
LogP-0.68
Rot. Bonds1

About 2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride

2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride (PubChem CID 131106028) has the molecular formula C7H16ClN3O and a molecular weight of 193.68 g/mol. Its IUPAC name is 2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
PubChem CID131106028
Molecular FormulaC7H16ClN3O
Molecular Weight193.68 g/mol
Exact Mass193.10
IUPAC Name2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
SMILESCl.NCC(=O)N1CCC(N)CC1
InChIInChI=1S/C7H15N3O.ClH/c8-5-7(11)10-3-1-6(9)2-4-10;/h6H,1-5,8-9H2;1H
InChIKeyTVXZWDJQUTYWJA-UHFFFAOYSA-N
XLogP-0.68
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.68
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-3,3,3-trifluoropropan-1-one
CID 16776828
2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119280540
1-(2-aminoacetyl)piperidine-4-carbonyl chloride
CID 130772227
1-(4-aminopiperidin-1-yl)-2-propylsulfanylethanone;hydrochloride
CID 119374422
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
2-(1-adamantyl)-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 119374560
1-(4-aminopiperidin-1-yl)-2-(trifluoromethylsulfanyl)ethanone
CID 119373587
1-(4-aminopiperidin-1-yl)ethanone;ethane
CID 142912103
4-aminopiperidine-1-carbonyl iodide
CID 89243614
1-(4-aminopiperidin-1-yl)nonan-1-one
CID 65449656
2-[1-(2-aminoacetyl)pyrrolidin-3-yl]acetaldehyde
CID 178167886
2-amino-1-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethanone
CID 68733933

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride (CID 131106028) is 2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride is Cl.NCC(=O)N1CCC(N)CC1.
What is the InChIKey of 2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is TVXZWDJQUTYWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O.ClH/c8-5-7(11)10-3-1-6(9)2-4-10;/h6H,1-5,8-9H2;1H.
What are the key properties of 2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride?
2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 193.68 g/mol, XLogP of -0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 131106028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).