(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone

C13H16ClNO3 — CID 63390939

IUPAC(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(Cl)CC2)c1O
InChIInChI=1S/C13H16ClNO3/c1-18-11-4-2-3-10(12(11)16)13(17)15-7-5-9(14)6-8-15/h2-4,9,16H,5-8H2,1H3
InChIKeyDCNPNENORPLSKX-UHFFFAOYSA-N
MW269.73 g/mol
LogP2.24
Rot. Bonds2

About (4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone

(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone (PubChem CID 63390939) has the molecular formula C13H16ClNO3 and a molecular weight of 269.73 g/mol. Its IUPAC name is (4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
PubChem CID63390939
Molecular FormulaC13H16ClNO3
Molecular Weight269.73 g/mol
Exact Mass269.08
IUPAC Name(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCC(Cl)CC2)c1O
InChIInChI=1S/C13H16ClNO3/c1-18-11-4-2-3-10(12(11)16)13(17)15-7-5-9(14)6-8-15/h2-4,9,16H,5-8H2,1H3
InChIKeyDCNPNENORPLSKX-UHFFFAOYSA-N
XLogP2.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63007028
(2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 62045617
[4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63597089
(2-hydroxy-3-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64599551
1-(2-hydroxy-3-methoxybenzoyl)piperidine-3-carboxylic acid
CID 24705711
(2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498303
1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117423
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl-(2-hydroxy-3-methoxyphenyl)methanone
CID 66210628
(2-hydroxy-3-methoxyphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 112789368
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 112760338
[2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63395526
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63615933

Frequently Asked Questions

What is the IUPAC name of (4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone?
The IUPAC name of (4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone (CID 63390939) is (4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone.
What is the SMILES notation for (4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone?
The canonical SMILES for (4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCC(Cl)CC2)c1O.
What is the InChIKey of (4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone?
The InChIKey is DCNPNENORPLSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3/c1-18-11-4-2-3-10(12(11)16)13(17)15-7-5-9(14)6-8-15/h2-4,9,16H,5-8H2,1H3.
What are the key properties of (4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone?
(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone has a molecular weight of 269.73 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 63390939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).