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

C8H15ClN2O — CID 77143696

IUPAC2-amino-1-(3-chloropiperidin-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CCCC(Cl)C1
InChIInChI=1S/C8H15ClN2O/c1-6(10)8(12)11-4-2-3-7(9)5-11/h6-7H,2-5,10H2,1H3
InChIKeyUKZZQNGVSHGTHA-UHFFFAOYSA-N
MW190.67 g/mol
LogP0.56
Rot. Bonds1

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

2-amino-1-(3-chloropiperidin-1-yl)propan-1-one (PubChem CID 77143696) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is 2-amino-1-(3-chloropiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-chloropiperidin-1-yl)propan-1-one
PubChem CID77143696
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name2-amino-1-(3-chloropiperidin-1-yl)propan-1-one
SMILESCC(N)C(=O)N1CCCC(Cl)C1
InChIInChI=1S/C8H15ClN2O/c1-6(10)8(12)11-4-2-3-7(9)5-11/h6-7H,2-5,10H2,1H3
InChIKeyUKZZQNGVSHGTHA-UHFFFAOYSA-N
XLogP0.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93086372
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
2-amino-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43503084
(2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one
CID 129493259
(2S)-2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-1-one
CID 63151458
2-amino-1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)propan-1-one
CID 63151715
(2S)-2-amino-1-[(3S)-3-(difluoromethyl)piperidin-1-yl]propan-1-one
CID 129499730
2-amino-1-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 43590427
(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
CID 66564392
(2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129495721
N-[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]acetamide
CID 66567589
(2S)-2-amino-1-[(3R)-3-[methyl(propan-2-yl)amino]piperidin-1-yl]propan-1-one
CID 66568007

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-chloropiperidin-1-yl)propan-1-one?
The IUPAC name of 2-amino-1-(3-chloropiperidin-1-yl)propan-1-one (CID 77143696) is 2-amino-1-(3-chloropiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-amino-1-(3-chloropiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-amino-1-(3-chloropiperidin-1-yl)propan-1-one is CC(N)C(=O)N1CCCC(Cl)C1.
What is the InChIKey of 2-amino-1-(3-chloropiperidin-1-yl)propan-1-one?
The InChIKey is UKZZQNGVSHGTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClN2O/c1-6(10)8(12)11-4-2-3-7(9)5-11/h6-7H,2-5,10H2,1H3.
What are the key properties of 2-amino-1-(3-chloropiperidin-1-yl)propan-1-one?
2-amino-1-(3-chloropiperidin-1-yl)propan-1-one has a molecular weight of 190.67 g/mol, XLogP of 0.56, 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-chloropiperidin-1-yl)propan-1-one is sourced from PubChem (CID 77143696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).