1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone

C13H17ClN2O — CID 102978347

IUPAC1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
SMILESN[C@@H]1CCCN(C(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C13H17ClN2O/c14-12-6-2-1-4-10(12)8-13(17)16-7-3-5-11(15)9-16/h1-2,4,6,11H,3,5,7-9,15H2/t11-/m1/s1
InChIKeyJKNZLRKJGJLNLQ-LLVKDONJSA-N
MW252.74 g/mol
LogP1.83
Rot. Bonds2

About 1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone

1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone (PubChem CID 102978347) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
PubChem CID102978347
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
SMILESN[C@@H]1CCCN(C(=O)Cc2ccccc2Cl)C1
InChIInChI=1S/C13H17ClN2O/c14-12-6-2-1-4-10(12)8-13(17)16-7-3-5-11(15)9-16/h1-2,4,6,11H,3,5,7-9,15H2/t11-/m1/s1
InChIKeyJKNZLRKJGJLNLQ-LLVKDONJSA-N
XLogP1.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63396274
2-(2-chlorophenyl)-1-[(3S)-3-[(dimethylamino)methyl]piperidin-1-yl]ethanone
CID 94796002
2-(2-chlorophenyl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62372874
1-(3-aminopiperidin-1-yl)-2-phenylethanone;hydrochloride
CID 112756506
2-(2-chlorophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115746322
1-(3-bromopyrrolidin-1-yl)-2-(2-chlorophenyl)ethanone
CID 80677513
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
(3S)-3-amino-N-[(2,3-dichlorophenyl)methyl]piperidine-1-carboxamide
CID 131895525
1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one
CID 115277240
1-(3-aminopiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 61297397
1-[3-(benzenesulfonyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 71805583
2-(2-chlorophenyl)-1-[(3S)-3-[[3-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]ethanone
CID 92900858

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone?
The IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone (CID 102978347) is 1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone.
What is the SMILES notation for 1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone?
The canonical SMILES for 1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone is N[C@@H]1CCCN(C(=O)Cc2ccccc2Cl)C1.
What is the InChIKey of 1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone?
The InChIKey is JKNZLRKJGJLNLQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-12-6-2-1-4-10(12)8-13(17)16-7-3-5-11(15)9-16/h1-2,4,6,11H,3,5,7-9,15H2/t11-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone?
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone has a molecular weight of 252.74 g/mol, XLogP of 1.83, 2 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-(2-chlorophenyl)ethanone is sourced from PubChem (CID 102978347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).