(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

C12H13Cl2NO2 — CID 93032488

IUPAC(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCC[C@H](O)C1
InChIInChI=1S/C12H13Cl2NO2/c13-8-3-4-11(14)10(6-8)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7H2/t9-/m0/s1
InChIKeyBMICVOASBRSRMR-VIFPVBQESA-N
MW274.15 g/mol
LogP2.59
Rot. Bonds1

About (2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone

(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (PubChem CID 93032488) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
PubChem CID93032488
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
SMILESO=C(c1cc(Cl)ccc1Cl)N1CCC[C@H](O)C1
InChIInChI=1S/C12H13Cl2NO2/c13-8-3-4-11(14)10(6-8)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7H2/t9-/m0/s1
InChIKeyBMICVOASBRSRMR-VIFPVBQESA-N
XLogP2.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032502
(2-amino-5-chlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211689
(2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 107024550
(5-chloro-2-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918777
(4-chloro-2-nitrophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224582
(4-chloro-2,5-difluorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 82772196
(2,5-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62371472
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 93032513
(3-chloro-2-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224950
(2,5-dichlorophenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60978829
(4-chloro-2-hydroxyphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029566

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The IUPAC name of (2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone (CID 93032488) is (2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The canonical SMILES for (2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is O=C(c1cc(Cl)ccc1Cl)N1CCC[C@H](O)C1.
What is the InChIKey of (2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
The InChIKey is BMICVOASBRSRMR-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-8-3-4-11(14)10(6-8)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7H2/t9-/m0/s1.
What are the key properties of (2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone?
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone has a molecular weight of 274.15 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone is sourced from PubChem (CID 93032488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).