1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine

C15H23FN2O — CID 55168778

IUPAC1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
SMILESCOc1ccc(F)cc1CN1CCCCC1C(C)N
InChIInChI=1S/C15H23FN2O/c1-11(17)14-5-3-4-8-18(14)10-12-9-13(16)6-7-15(12)19-2/h6-7,9,11,14H,3-5,8,10,17H2,1-2H3
InChIKeyIVZDKWYLUIODDV-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.54
Rot. Bonds4

About 1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine

1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine (PubChem CID 55168778) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
PubChem CID55168778
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
SMILESCOc1ccc(F)cc1CN1CCCCC1C(C)N
InChIInChI=1S/C15H23FN2O/c1-11(17)14-5-3-4-8-18(14)10-12-9-13(16)6-7-15(12)19-2/h6-7,9,11,14H,3-5,8,10,17H2,1-2H3
InChIKeyIVZDKWYLUIODDV-UHFFFAOYSA-N
XLogP2.54
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 65027028
1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 63254271
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
1-[1-[(5-bromo-2-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55170113
1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
CID 120897041
1-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]-N-methylethanamine
CID 63852929
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-fluorobenzonitrile
CID 63256041
1-[1-[(2,4-dimethylphenyl)methyl]piperidin-2-yl]ethanamine
CID 63254150
1-[1-[(2,5-dimethylphenyl)methyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911372
1-[2-(1-aminoethyl)piperidin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 119435917
1-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-2-yl]ethanamine
CID 120980251
1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine
CID 106865562

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine (CID 55168778) is 1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine is COc1ccc(F)cc1CN1CCCCC1C(C)N.
What is the InChIKey of 1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is IVZDKWYLUIODDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(17)14-5-3-4-8-18(14)10-12-9-13(16)6-7-15(12)19-2/h6-7,9,11,14H,3-5,8,10,17H2,1-2H3.
What are the key properties of 1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 266.36 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 55168778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).