[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone

C14H18Cl2N2O2 — CID 115963362

IUPAC[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone
SMILESCOC1CCN(C(=O)c2ccc(Cl)cc2Cl)C(CN)C1
InChIInChI=1S/C14H18Cl2N2O2/c1-20-11-4-5-18(10(7-11)8-17)14(19)12-3-2-9(15)6-13(12)16/h2-3,6,10-11H,4-5,7-8,17H2,1H3
InChIKeyVNRKPHODLMIWTP-UHFFFAOYSA-N
MW317.22 g/mol
LogP2.57
Rot. Bonds3

About [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 115963362) has the molecular formula C14H18Cl2N2O2 and a molecular weight of 317.22 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone
PubChem CID115963362
Molecular FormulaC14H18Cl2N2O2
Molecular Weight317.22 g/mol
Exact Mass316.07
IUPAC Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone
SMILESCOC1CCN(C(=O)c2ccc(Cl)cc2Cl)C(CN)C1
InChIInChI=1S/C14H18Cl2N2O2/c1-20-11-4-5-18(10(7-11)8-17)14(19)12-3-2-9(15)6-13(12)16/h2-3,6,10-11H,4-5,7-8,17H2,1H3
InChIKeyVNRKPHODLMIWTP-UHFFFAOYSA-N
XLogP2.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,5-difluorophenyl)methanone
CID 115963358
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
CID 115963326
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-4-methylphenyl)methanone
CID 115963439
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(4-chloro-1-methylpyrrol-2-yl)methanone
CID 112622341
[2-(aminomethyl)-4-methylpiperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 80504367
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705229
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,6-dimethylpyridazin-4-yl)methanone
CID 104671747
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2-bromofuran-3-yl)methanone
CID 106855210
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 115963268
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 115963404
[(2S,4R)-2-(aminomethyl)-4-methoxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 99714903
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 112622381

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone (CID 115963362) is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone is COC1CCN(C(=O)c2ccc(Cl)cc2Cl)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is VNRKPHODLMIWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2/c1-20-11-4-5-18(10(7-11)8-17)14(19)12-3-2-9(15)6-13(12)16/h2-3,6,10-11H,4-5,7-8,17H2,1H3.
What are the key properties of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone?
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 317.22 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 115963362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).