[1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine

C15H22F2N2 — CID 103351610

IUPAC[1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2cccc(F)c2F)C(CN)C1
InChIInChI=1S/C15H22F2N2/c1-2-11-6-7-19(13(8-11)9-18)10-12-4-3-5-14(16)15(12)17/h3-5,11,13H,2,6-10,18H2,1H3
InChIKeyVFDBNGFCWJWTHU-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.91
Rot. Bonds4

About [1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine

[1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine (PubChem CID 103351610) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is [1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
PubChem CID103351610
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name[1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2cccc(F)c2F)C(CN)C1
InChIInChI=1S/C15H22F2N2/c1-2-11-6-7-19(13(8-11)9-18)10-12-4-3-5-14(16)15(12)17/h3-5,11,13H,2,6-10,18H2,1H3
InChIKeyVFDBNGFCWJWTHU-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine
CID 103351708
3-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-4-fluorobenzamide
CID 103353216
[1-[(4-bromophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351813
[1-[(2,5-dimethylphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351706
[1-[(6-chloro-2-pyridinyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103353142
[2-[(2,3-difluorophenyl)methyl]-3,4-dihydro-1H-isoquinolin-3-yl]methanamine
CID 62343141
[1-(2,2-difluoro-2-phenylethyl)-4-ethylpiperidin-2-yl]methanamine
CID 103353345
4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-3-methylbenzonitrile
CID 103353274
[1-[(2-bromo-5-methoxyphenyl)methyl]-4-ethylpiperidin-2-yl]methanamine
CID 103353134
[1-[(2-fluoro-3-nitrophenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 107350343
4-[[2-(aminomethyl)-4-ethylpiperidin-1-yl]methyl]-2-chlorophenol
CID 103351651
[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 62016121

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine (CID 103351610) is [1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine is CCC1CCN(Cc2cccc(F)c2F)C(CN)C1.
What is the InChIKey of [1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
The InChIKey is VFDBNGFCWJWTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-2-11-6-7-19(13(8-11)9-18)10-12-4-3-5-14(16)15(12)17/h3-5,11,13H,2,6-10,18H2,1H3.
What are the key properties of [1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine?
[1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine has a molecular weight of 268.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3-difluorophenyl)methyl]-4-ethylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103351610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).