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

C12H13Cl2NO2 — CID 43390830

IUPAC(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCC(O)C1
InChIInChI=1S/C12H13Cl2NO2/c13-10-4-3-8(6-11(10)14)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7H2
InChIKeyUFJBRGIPSQINGL-UHFFFAOYSA-N
MW274.15 g/mol
LogP2.59
Rot. Bonds1

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

(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 43390830) has the molecular formula C12H13Cl2NO2 and a molecular weight of 274.15 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID43390830
Molecular FormulaC12H13Cl2NO2
Molecular Weight274.15 g/mol
Exact Mass273.03
IUPAC Name(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCCC(O)C1
InChIInChI=1S/C12H13Cl2NO2/c13-10-4-3-8(6-11(10)14)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7H2
InChIKeyUFJBRGIPSQINGL-UHFFFAOYSA-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

(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
(3-chloro-4-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107224293
(3,4-dihydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300644
(3-chloro-4-pyridin-4-yloxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 111332849
(3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918769
[1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55632984
(2,5-dichlorophenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 93032488
[4-(3-aminoprop-1-ynyl)-3-chlorophenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 81295681
(3-amino-4,5-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 61094418
(4-bromo-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002096
(4-amino-3-chlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107209802
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone (CID 43390830) is (3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCCC(O)C1.
What is the InChIKey of (3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is UFJBRGIPSQINGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO2/c13-10-4-3-8(6-11(10)14)12(17)15-5-1-2-9(16)7-15/h3-4,6,9,16H,1-2,5,7H2.
What are the key properties of (3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone?
(3,4-dichlorophenyl)-(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 (3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 43390830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).