2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine

C16H25FN2 — CID 104869888

IUPAC2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(Cc2cc(C)ccc2F)CC1
InChIInChI=1S/C16H25FN2/c1-13-3-4-16(17)15(11-13)12-19-9-6-14(7-10-19)5-8-18-2/h3-4,11,14,18H,5-10,12H2,1-2H3
InChIKeyOROMELCFKGNVCG-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.96
Rot. Bonds5

About 2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine

2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine (PubChem CID 104869888) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine
PubChem CID104869888
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(Cc2cc(C)ccc2F)CC1
InChIInChI=1S/C16H25FN2/c1-13-3-4-16(17)15(11-13)12-19-9-6-14(7-10-19)5-8-18-2/h3-4,11,14,18H,5-10,12H2,1-2H3
InChIKeyOROMELCFKGNVCG-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 104869446
2-[1-[(2,3-dichloro-4-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843537
2-[1-[(3-bromo-2,6-difluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 106264865
1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107453627
2-[1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 104792852
4-fluoro-3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzonitrile
CID 63248960
2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843504
1-[1-[(2-fluoro-5-methylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 104869878
2-[1-[(2-fluoro-3-nitrophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 107350281
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106864116
2-[1-[(3-iodophenyl)methyl]piperidin-4-yl]-N-methylethanamine
CID 114283042
1-[(2-fluoro-4-methylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 118671533

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine (CID 104869888) is 2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine is CNCCC1CCN(Cc2cc(C)ccc2F)CC1.
What is the InChIKey of 2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine?
The InChIKey is OROMELCFKGNVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-13-3-4-16(17)15(11-13)12-19-9-6-14(7-10-19)5-8-18-2/h3-4,11,14,18H,5-10,12H2,1-2H3.
What are the key properties of 2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine?
2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine has a molecular weight of 264.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluoro-5-methylphenyl)methyl]piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 104869888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).