2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride

C15H22ClFN2O3 — CID 171687664

IUPAC2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride
SMILESCOC1(COc2ccc(F)cc2)CCCN(C(=O)CN)C1.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-20-15(7-2-8-18(10-15)14(19)9-17)11-21-13-5-3-12(16)4-6-13;/h3-6H,2,7-11,17H2,1H3;1H
InChIKeyZJSGORUVRQQWPQ-UHFFFAOYSA-N
MW332.80 g/mol
LogP1.59
Rot. Bonds5

About 2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride

2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride (PubChem CID 171687664) has the molecular formula C15H22ClFN2O3 and a molecular weight of 332.80 g/mol. Its IUPAC name is 2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride
PubChem CID171687664
Molecular FormulaC15H22ClFN2O3
Molecular Weight332.80 g/mol
Exact Mass332.13
IUPAC Name2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride
SMILESCOC1(COc2ccc(F)cc2)CCCN(C(=O)CN)C1.Cl
InChIInChI=1S/C15H21FN2O3.ClH/c1-20-15(7-2-8-18(10-15)14(19)9-17)11-21-13-5-3-12(16)4-6-13;/h3-6H,2,7-11,17H2,1H3;1H
InChIKeyZJSGORUVRQQWPQ-UHFFFAOYSA-N
XLogP1.59
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.80
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-1-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 155990933
(4-fluorophenyl)-[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]methanone
CID 155990838
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 171687669
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(5-methyl-2-pyridinyl)methanone
CID 132764637
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one
CID 155990558
[3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 132776924
[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 132764523
1-cyclohexyl-3-[(4-fluorophenoxy)methyl]-3-methoxypyrrolidine
CID 155992523
[3-methoxy-3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylpyrimidin-2-yl)methanone
CID 155992662
3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
CID 132764280
[3-methoxy-3-(phenoxymethyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 155992013
2-[(3R)-3-[(4-fluorophenoxy)methyl]-1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]acetamide
CID 124955846

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride (CID 171687664) is 2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride is COC1(COc2ccc(F)cc2)CCCN(C(=O)CN)C1.Cl.
What is the InChIKey of 2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride?
The InChIKey is ZJSGORUVRQQWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3.ClH/c1-20-15(7-2-8-18(10-15)14(19)9-17)11-21-13-5-3-12(16)4-6-13;/h3-6H,2,7-11,17H2,1H3;1H.
What are the key properties of 2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride?
2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride has a molecular weight of 332.80 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[(4-fluorophenoxy)methyl]-3-methoxypiperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 171687664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).