(4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone

C12H14ClNO3 — CID 107691006

IUPAC(4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
SMILESO=C(c1c(O)cccc1O)N1CCC(Cl)CC1
InChIInChI=1S/C12H14ClNO3/c13-8-4-6-14(7-5-8)12(17)11-9(15)2-1-3-10(11)16/h1-3,8,15-16H,4-7H2
InChIKeyKVBGJBCSEJEDTM-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.94
Rot. Bonds1

About (4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone

(4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone (PubChem CID 107691006) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is (4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
PubChem CID107691006
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name(4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
SMILESO=C(c1c(O)cccc1O)N1CCC(Cl)CC1
InChIInChI=1S/C12H14ClNO3/c13-8-4-6-14(7-5-8)12(17)11-9(15)2-1-3-10(11)16/h1-3,8,15-16H,4-7H2
InChIKeyKVBGJBCSEJEDTM-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

(2,6-dihydroxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 103890281
[4-(1-bromoethyl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691311
(2,6-dimethylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 142823511
[4-(azetidin-3-yl)piperazin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107690345
(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 63390939
(4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63390640
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
[2-(chloromethyl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691011
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
(3-amino-3-cyclopropylazetidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107691422
1-(2-amino-6-chlorobenzoyl)piperidine-4-carboxamide
CID 63660702
(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
CID 113433257

Frequently Asked Questions

What is the IUPAC name of (4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone?
The IUPAC name of (4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone (CID 107691006) is (4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone.
What is the SMILES notation for (4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone?
The canonical SMILES for (4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone is O=C(c1c(O)cccc1O)N1CCC(Cl)CC1.
What is the InChIKey of (4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone?
The InChIKey is KVBGJBCSEJEDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-8-4-6-14(7-5-8)12(17)11-9(15)2-1-3-10(11)16/h1-3,8,15-16H,4-7H2.
What are the key properties of (4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone?
(4-chloropiperidin-1-yl)-(2,6-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 (4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone is sourced from PubChem (CID 107691006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).