(5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone

C12H14ClNO3 — CID 151443573

IUPAC(5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(Cl)c(O)cc1O)N1CCCCC1
InChIInChI=1S/C12H14ClNO3/c13-9-6-8(10(15)7-11(9)16)12(17)14-4-2-1-3-5-14/h6-7,15-16H,1-5H2
InChIKeyPFAHNRAQTRHPST-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.38
Rot. Bonds1

About (5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone

(5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone (PubChem CID 151443573) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is (5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone
PubChem CID151443573
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name(5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone
SMILESO=C(c1cc(Cl)c(O)cc1O)N1CCCCC1
InChIInChI=1S/C12H14ClNO3/c13-9-6-8(10(15)7-11(9)16)12(17)14-4-2-1-3-5-14/h6-7,15-16H,1-5H2
InChIKeyPFAHNRAQTRHPST-UHFFFAOYSA-N
XLogP2.38
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-1-yl-(2,3,4-trihydroxyphenyl)methanone
CID 139689165
(4-bromo-2-hydroxyphenyl)-piperidin-1-ylmethanone
CID 47080583
azocan-1-yl-(5-bromo-2-chlorophenyl)methanone
CID 17167181
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
[(1R)-2-(5-chloro-2,4-dihydroxybenzoyl)-1,3-dihydroisoindol-1-yl]-pyrrolidin-1-ylmethanone
CID 44627148
[(3R)-2-(5-chloro-2,4-dihydroxybenzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone
CID 134143766
bis(5-chloro-2,4-dihydroxyphenyl)methanone
CID 101362885
(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 875976
(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 110762027
azetidin-1-yl-[4-[1-(5-chloro-2,4-dihydroxybenzoyl)pyrrolidin-2-yl]-3-methylphenyl]methanone
CID 44590148
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
(4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 82772045

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone?
The IUPAC name of (5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone (CID 151443573) is (5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone is O=C(c1cc(Cl)c(O)cc1O)N1CCCCC1.
What is the InChIKey of (5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone?
The InChIKey is PFAHNRAQTRHPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-9-6-8(10(15)7-11(9)16)12(17)14-4-2-1-3-5-14/h6-7,15-16H,1-5H2.
What are the key properties of (5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone?
(5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone has a molecular weight of 255.70 g/mol, XLogP of 2.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2,4-dihydroxyphenyl)-piperidin-1-ylmethanone is sourced from PubChem (CID 151443573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).