(3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone

C12H14Cl2N2O2 — CID 61094418

IUPAC(3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCCC(O)C2)cc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O2/c13-9-4-7(5-10(15)11(9)14)12(18)16-3-1-2-8(17)6-16/h4-5,8,17H,1-3,6,15H2
InChIKeyCGNBPYPFBMFHSK-UHFFFAOYSA-N
MW289.16 g/mol
LogP2.17
Rot. Bonds1

About (3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone

(3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 61094418) has the molecular formula C12H14Cl2N2O2 and a molecular weight of 289.16 g/mol. Its IUPAC name is (3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID61094418
Molecular FormulaC12H14Cl2N2O2
Molecular Weight289.16 g/mol
Exact Mass288.04
IUPAC Name(3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESNc1cc(C(=O)N2CCCC(O)C2)cc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O2/c13-9-4-7(5-10(15)11(9)14)12(18)16-3-1-2-8(17)6-16/h4-5,8,17H,1-3,6,15H2
InChIKeyCGNBPYPFBMFHSK-UHFFFAOYSA-N
XLogP2.17
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.16
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4,5-dichlorophenyl)-(4-methylazepan-1-yl)methanone
CID 63622744
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
(3-chloro-4-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224293
(4-amino-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209802
(7-chloro-1,3-benzodioxol-5-yl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224669
[4-(3-aminoprop-1-ynyl)-3-chlorophenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 81295681
(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211689
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-4,5-dichlorophenyl)methanone
CID 102725149
(2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 113378343
1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide
CID 82832980
(5-amino-2-chloro-4-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 114089622
4-[(3S)-3-hydroxypiperidine-1-carbonyl]benzamide
CID 93040598

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone (CID 61094418) is (3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone is Nc1cc(C(=O)N2CCCC(O)C2)cc(Cl)c1Cl.
What is the InChIKey of (3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is CGNBPYPFBMFHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O2/c13-9-4-7(5-10(15)11(9)14)12(18)16-3-1-2-8(17)6-16/h4-5,8,17H,1-3,6,15H2.
What are the key properties of (3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone?
(3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 289.16 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 61094418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).