1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine

C15H23FN2 — CID 103943629

IUPAC1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine
SMILESCCN1CCC(NCc2cc(F)ccc2C)CC1
InChIInChI=1S/C15H23FN2/c1-3-18-8-6-15(7-9-18)17-11-13-10-14(16)5-4-12(13)2/h4-5,10,15,17H,3,6-9,11H2,1-2H3
InChIKeyFKDBZESRXZVROB-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.71
Rot. Bonds4

About 1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine

1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine (PubChem CID 103943629) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine
PubChem CID103943629
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine
SMILESCCN1CCC(NCc2cc(F)ccc2C)CC1
InChIInChI=1S/C15H23FN2/c1-3-18-8-6-15(7-9-18)17-11-13-10-14(16)5-4-12(13)2/h4-5,10,15,17H,3,6-9,11H2,1-2H3
InChIKeyFKDBZESRXZVROB-UHFFFAOYSA-N
XLogP2.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115968095
1-[4-[(5-fluoro-2-methylphenyl)methylamino]piperidin-1-yl]ethanone
CID 103943635
N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115968236
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124259
1-cyclopropyl-N-[(4-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 62136121
N-[(2,5-difluorophenyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 55236856
1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine
CID 65072745
N-[(5-fluoro-2-methylphenyl)methyl]-2-methylcyclopropan-1-amine
CID 115968089
4-(1-chloroethyl)-1-[(5-fluoro-2-methylphenyl)methyl]piperidine
CID 106838045
N-[1-(1-ethylpiperidin-4-yl)ethyl]-5-fluoro-2-methylaniline
CID 43307958
N-[(5-fluoro-2-methylphenyl)methyl]cyclohex-2-en-1-amine
CID 115968267
1-[4-[(2,5-difluorophenyl)methylamino]piperidin-1-yl]ethanone
CID 43745932

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine (CID 103943629) is 1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine is CCN1CCC(NCc2cc(F)ccc2C)CC1.
What is the InChIKey of 1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine?
The InChIKey is FKDBZESRXZVROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-3-18-8-6-15(7-9-18)17-11-13-10-14(16)5-4-12(13)2/h4-5,10,15,17H,3,6-9,11H2,1-2H3.
What are the key properties of 1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine?
1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine has a molecular weight of 250.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(5-fluoro-2-methylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 103943629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).