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

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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).