(3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone

C12H14ClNO3 — CID 107705861

IUPAC(3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone
SMILESO=C(c1cc(O)cc(O)c1)N1CCCC(Cl)C1
InChIInChI=1S/C12H14ClNO3/c13-9-2-1-3-14(7-9)12(17)8-4-10(15)6-11(16)5-8/h4-6,9,15-16H,1-3,7H2
InChIKeyYBPRJTMIYPQYFB-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.94
Rot. Bonds1

About (3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone

(3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone (PubChem CID 107705861) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is (3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone
PubChem CID107705861
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name(3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone
SMILESO=C(c1cc(O)cc(O)c1)N1CCCC(Cl)C1
InChIInChI=1S/C12H14ClNO3/c13-9-2-1-3-14(7-9)12(17)8-4-10(15)6-11(16)5-8/h4-6,9,15-16H,1-3,7H2
InChIKeyYBPRJTMIYPQYFB-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600
(3,5-dihydroxyphenyl)-pyrrolidin-1-ylmethanone
CID 103891305
(3-chloropiperidin-1-yl)-(5-methylthiophen-3-yl)methanone
CID 130877497
(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 103892247
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705169
(4-tert-butylphenyl)-(3-chloropiperidin-1-yl)methanone
CID 63392824
(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 63393268
(3-bromo-4-chlorophenyl)-(3-chloropiperidin-1-yl)methanone
CID 107993582
(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 55185515
(3-chloropiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone
CID 63393138
(3,5-dihydroxyphenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 84582449
(3-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 63393366

Frequently Asked Questions

What is the IUPAC name of (3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone?
The IUPAC name of (3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone (CID 107705861) is (3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone.
What is the SMILES notation for (3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone?
The canonical SMILES for (3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone is O=C(c1cc(O)cc(O)c1)N1CCCC(Cl)C1.
What is the InChIKey of (3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone?
The InChIKey is YBPRJTMIYPQYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-9-2-1-3-14(7-9)12(17)8-4-10(15)6-11(16)5-8/h4-6,9,15-16H,1-3,7H2.
What are the key properties of (3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone?
(3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone has a molecular weight of 255.70 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloropiperidin-1-yl)-(3,5-dihydroxyphenyl)methanone is sourced from PubChem (CID 107705861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).