1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one

C8H15ClN2O — CID 165442334

IUPAC1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one
SMILESCC(Cl)C(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C8H15ClN2O/c1-6(9)8(12)11-4-2-3-7(10)5-11/h6-7H,2-5,10H2,1H3/t6?,7-/m1/s1
InChIKeyOSYDESXIIAJQNB-COBSHVIPSA-N
MW190.67 g/mol
LogP0.56
Rot. Bonds1

About 1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one

1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one (PubChem CID 165442334) has the molecular formula C8H15ClN2O and a molecular weight of 190.67 g/mol. Its IUPAC name is 1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one
PubChem CID165442334
Molecular FormulaC8H15ClN2O
Molecular Weight190.67 g/mol
Exact Mass190.09
IUPAC Name1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one
SMILESCC(Cl)C(=O)N1CCC[C@@H](N)C1
InChIInChI=1S/C8H15ClN2O/c1-6(9)8(12)11-4-2-3-7(10)5-11/h6-7H,2-5,10H2,1H3/t6?,7-/m1/s1
InChIKeyOSYDESXIIAJQNB-COBSHVIPSA-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-chloro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 7063314
1-(2-chloropropanoyl)piperidine-3-carboxamide
CID 24691104
(2R)-2-chloro-1-[(3S)-3-(difluoromethyl)piperidin-1-yl]propan-1-one
CID 129497963
(2S)-2-chloro-1-[(3R)-3-(difluoromethyl)piperidin-1-yl]propan-1-one
CID 129497960
1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-methylpropan-1-one;hydrochloride
CID 119377592
(2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one
CID 129410228
2-chloro-1-pyrrolidin-1-ylpropan-1-one
CID 3276100
2-chloro-1-[3-(fluoromethyl)pyrrolidin-1-yl]propan-1-one
CID 121200995
1-(3-aminopiperidin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103308956
2-(3-aminopiperidine-1-carbonyl)-3,3-dimethylbutanoic acid
CID 116536813
1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride
CID 119379995
2-methylpropyl 3-aminopiperidine-1-carboxylate
CID 61297583

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one?
The IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one (CID 165442334) is 1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one is CC(Cl)C(=O)N1CCC[C@@H](N)C1.
What is the InChIKey of 1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one?
The InChIKey is OSYDESXIIAJQNB-COBSHVIPSA-N. The full InChI is InChI=1S/C8H15ClN2O/c1-6(9)8(12)11-4-2-3-7(10)5-11/h6-7H,2-5,10H2,1H3/t6?,7-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one?
1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-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 1-[(3R)-3-aminopiperidin-1-yl]-2-chloropropan-1-one is sourced from PubChem (CID 165442334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).