[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride

C12H15Cl3N2O — CID 176515188

IUPAC[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride
SMILESCl.N[C@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C12H14Cl2N2O.ClH/c13-9-4-1-5-10(14)11(9)12(17)16-6-2-3-8(15)7-16;/h1,4-5,8H,2-3,6-7,15H2;1H/t8-;/m0./s1
InChIKeyKJCJOLOAPRMDCX-QRPNPIFTSA-N
MW309.62 g/mol
LogP2.98
Rot. Bonds1

About [(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride

[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride (PubChem CID 176515188) has the molecular formula C12H15Cl3N2O and a molecular weight of 309.62 g/mol. Its IUPAC name is [(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride
PubChem CID176515188
Molecular FormulaC12H15Cl3N2O
Molecular Weight309.62 g/mol
Exact Mass308.02
IUPAC Name[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride
SMILESCl.N[C@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C12H14Cl2N2O.ClH/c13-9-4-1-5-10(14)11(9)12(17)16-6-2-3-8(15)7-16;/h1,4-5,8H,2-3,6-7,15H2;1H/t8-;/m0./s1
InChIKeyKJCJOLOAPRMDCX-QRPNPIFTSA-N
XLogP2.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.62
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-aminopiperidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102978457
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-6-fluorophenyl)methanone;hydrochloride
CID 119465104
(2,6-dichlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370762
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
[(3S)-3-aminopyrrolidin-1-yl]-(2-chlorophenyl)methanone;hydrochloride
CID 119934556
(3-aminopiperidin-1-yl)-(2-chloro-4-iodophenyl)methanone;hydrochloride
CID 119378772
(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119380739
2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103428976
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
(2-amino-6-chlorophenyl)-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 63658829
(3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119381953
(2-chloro-6-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217403

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride?
The IUPAC name of [(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride (CID 176515188) is [(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride.
What is the SMILES notation for [(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride?
The canonical SMILES for [(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride is Cl.N[C@H]1CCCN(C(=O)c2c(Cl)cccc2Cl)C1.
What is the InChIKey of [(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride?
The InChIKey is KJCJOLOAPRMDCX-QRPNPIFTSA-N. The full InChI is InChI=1S/C12H14Cl2N2O.ClH/c13-9-4-1-5-10(14)11(9)12(17)16-6-2-3-8(15)7-16;/h1,4-5,8H,2-3,6-7,15H2;1H/t8-;/m0./s1.
What are the key properties of [(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride?
[(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride has a molecular weight of 309.62 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopiperidin-1-yl]-(2,6-dichlorophenyl)methanone;hydrochloride is sourced from PubChem (CID 176515188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).