[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone

C14H18ClFN2O2 — CID 115963326

IUPAC[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
SMILESCOC1CCN(C(=O)c2cccc(Cl)c2F)C(CN)C1
InChIInChI=1S/C14H18ClFN2O2/c1-20-10-5-6-18(9(7-10)8-17)14(19)11-3-2-4-12(15)13(11)16/h2-4,9-10H,5-8,17H2,1H3
InChIKeyUMBYGDPHNUUYBT-UHFFFAOYSA-N
MW300.76 g/mol
LogP2.06
Rot. Bonds3

About [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone

[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone (PubChem CID 115963326) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
PubChem CID115963326
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone
SMILESCOC1CCN(C(=O)c2cccc(Cl)c2F)C(CN)C1
InChIInChI=1S/C14H18ClFN2O2/c1-20-10-5-6-18(9(7-10)8-17)14(19)11-3-2-4-12(15)13(11)16/h2-4,9-10H,5-8,17H2,1H3
InChIKeyUMBYGDPHNUUYBT-UHFFFAOYSA-N
XLogP2.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone?
The IUPAC name of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone (CID 115963326) is [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone?
The canonical SMILES for [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone is COC1CCN(C(=O)c2cccc(Cl)c2F)C(CN)C1.
What is the InChIKey of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone?
The InChIKey is UMBYGDPHNUUYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-20-10-5-6-18(9(7-10)8-17)14(19)11-3-2-4-12(15)13(11)16/h2-4,9-10H,5-8,17H2,1H3.
What are the key properties of [2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone?
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3-chloro-2-fluorophenyl)methanone has a molecular weight of 300.76 g/mol, XLogP of 2.06, 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]-(3-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 115963326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).