1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one

C9H17ClN2O — CID 71122882

IUPAC1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one
SMILESCC(C)(Cl)C(=O)N1CCC(N)CC1
InChIInChI=1S/C9H17ClN2O/c1-9(2,10)8(13)12-5-3-7(11)4-6-12/h7H,3-6,11H2,1-2H3
InChIKeyLSAJWDJPHFTYTF-UHFFFAOYSA-N
MW204.70 g/mol
LogP0.95
Rot. Bonds1

About 1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one

1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one (PubChem CID 71122882) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one
PubChem CID71122882
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one
SMILESCC(C)(Cl)C(=O)N1CCC(N)CC1
InChIInChI=1S/C9H17ClN2O/c1-9(2,10)8(13)12-5-3-7(11)4-6-12/h7H,3-6,11H2,1-2H3
InChIKeyLSAJWDJPHFTYTF-UHFFFAOYSA-N
XLogP0.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 50.95
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

2-amino-1-(4-aminopiperidin-1-yl)-2-methylpropan-1-one
CID 110460861
1-(4-aminopiperidin-1-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 39260263
1-(4-aminopiperidin-1-yl)ethanone;ethane
CID 142912103
1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one
CID 119374050
1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119373668
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103021611
1-(4-aminopiperidin-1-yl)-2-(4-ethylphenyl)-2-methylpropan-1-one
CID 119374869
4-aminopiperidine-1-carbonyl iodide
CID 89243614
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(2-chlorophenyl)-2-methylpropan-1-one
CID 125134449
1-[4-[(3-aminocyclohexyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 79458862
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
1-(2,2,2-trichloroacetyl)piperidine-4-carboxamide
CID 17311906

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one (CID 71122882) is 1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one is CC(C)(Cl)C(=O)N1CCC(N)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one?
The InChIKey is LSAJWDJPHFTYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O/c1-9(2,10)8(13)12-5-3-7(11)4-6-12/h7H,3-6,11H2,1-2H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one?
1-(4-aminopiperidin-1-yl)-2-chloro-2-methylpropan-1-one has a molecular weight of 204.70 g/mol, XLogP of 0.95, 1 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)-2-chloro-2-methylpropan-1-one is sourced from PubChem (CID 71122882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).