[2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone

C14H18ClNO3 — CID 63395526

IUPAC[2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCCC2CCl)c1O
InChIInChI=1S/C14H18ClNO3/c1-19-12-7-4-6-11(13(12)17)14(18)16-8-3-2-5-10(16)9-15/h4,6-7,10,17H,2-3,5,8-9H2,1H3
InChIKeyIVSPZKMKGFUAIH-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.63
Rot. Bonds3

About [2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone

[2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone (PubChem CID 63395526) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is [2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
PubChem CID63395526
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name[2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCCCC2CCl)c1O
InChIInChI=1S/C14H18ClNO3/c1-19-12-7-4-6-11(13(12)17)14(18)16-8-3-2-5-10(16)9-15/h4,6-7,10,17H,2-3,5,8-9H2,1H3
InChIKeyIVSPZKMKGFUAIH-UHFFFAOYSA-N
XLogP2.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.63
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

[2-(aminomethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63754345
1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid
CID 24689574
[2-(chloromethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830458
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(2-hydroxy-3-methoxyphenyl)methanone
CID 42940489
[2-(chloromethyl)azepan-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 116639025
1-(2-hydroxy-3-methoxybenzoyl)-N-methylpiperidine-2-carboxamide
CID 60968549
(2-hydroxy-3-methoxyphenyl)-(2-phenylazepan-1-yl)methanone
CID 102555243
[2-(chloromethyl)azepan-1-yl]-(2,3-dichlorophenyl)methanone
CID 116639124
(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 63390939
[2-(aminomethyl)piperidin-1-yl]-(2,3-dimethoxyphenyl)methanone;hydrochloride
CID 119469424
[2-(chloromethyl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691011
[2-(chloromethyl)azepan-1-yl]-naphthalen-1-ylmethanone
CID 116639192

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
The IUPAC name of [2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone (CID 63395526) is [2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone.
What is the SMILES notation for [2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
The canonical SMILES for [2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCCCC2CCl)c1O.
What is the InChIKey of [2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
The InChIKey is IVSPZKMKGFUAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-19-12-7-4-6-11(13(12)17)14(18)16-8-3-2-5-10(16)9-15/h4,6-7,10,17H,2-3,5,8-9H2,1H3.
What are the key properties of [2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone?
[2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone has a molecular weight of 283.75 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 63395526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).