[4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine

C16H25FN2 — CID 103351708

IUPAC[4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2ccc(F)cc2C)C(CN)C1
InChIInChI=1S/C16H25FN2/c1-3-13-6-7-19(16(9-13)10-18)11-14-4-5-15(17)8-12(14)2/h4-5,8,13,16H,3,6-7,9-11,18H2,1-2H3
InChIKeyHARXXPBKAKGEFL-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.08
Rot. Bonds4

About [4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine

[4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine (PubChem CID 103351708) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is [4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine
PubChem CID103351708
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name[4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine
SMILESCCC1CCN(Cc2ccc(F)cc2C)C(CN)C1
InChIInChI=1S/C16H25FN2/c1-3-13-6-7-19(16(9-13)10-18)11-14-4-5-15(17)8-12(14)2/h4-5,8,13,16H,3,6-7,9-11,18H2,1-2H3
InChIKeyHARXXPBKAKGEFL-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine (CID 103351708) is [4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine is CCC1CCN(Cc2ccc(F)cc2C)C(CN)C1.
What is the InChIKey of [4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine?
The InChIKey is HARXXPBKAKGEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-13-6-7-19(16(9-13)10-18)11-14-4-5-15(17)8-12(14)2/h4-5,8,13,16H,3,6-7,9-11,18H2,1-2H3.
What are the key properties of [4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine?
[4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine has a molecular weight of 264.39 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 103351708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).