1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine

C13H17F3N2 — CID 62816568

IUPAC1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine
SMILESCCN1CCC(Nc2cc(F)c(F)cc2F)CC1
InChIInChI=1S/C13H17F3N2/c1-2-18-5-3-9(4-6-18)17-13-8-11(15)10(14)7-12(13)16/h7-9,17H,2-6H2,1H3
InChIKeyVLOAMFFHMGMRDP-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.00
Rot. Bonds3

About 1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine

1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine (PubChem CID 62816568) has the molecular formula C13H17F3N2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine
PubChem CID62816568
Molecular FormulaC13H17F3N2
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC Name1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine
SMILESCCN1CCC(Nc2cc(F)c(F)cc2F)CC1
InChIInChI=1S/C13H17F3N2/c1-2-18-5-3-9(4-6-18)17-13-8-11(15)10(14)7-12(13)16/h7-9,17H,2-6H2,1H3
InChIKeyVLOAMFFHMGMRDP-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-fluorophenyl)-1-ethylazepan-4-amine
CID 65074592
N-(4-chloro-5-fluoro-2-nitrophenyl)-1-ethylpiperidin-4-amine
CID 66077000
1-ethyl-N-(2-fluoro-4-nitrophenyl)azepan-4-amine
CID 65073343
3-[(1-ethylazepan-4-yl)amino]-4-fluorobenzoic acid
CID 65074475
1-ethyl-N-(4-fluoro-2-methylphenyl)azepan-4-amine
CID 65072745
5-[(1-ethylpiperidin-4-yl)amino]-2-fluorobenzonitrile
CID 62315553
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
N-(2,4-dibromophenyl)-1-ethylpiperidin-4-amine
CID 43683069
1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine
CID 43719257
N-(2-ethoxy-4-fluorophenyl)-1-ethylazepan-4-amine
CID 65074721
N-(2,4-difluoro-5-nitrophenyl)-1-propylpiperidin-4-amine
CID 43725113
4-chloro-2-N-(1-ethylpiperidin-4-yl)-1-N,1-N-dimethylbenzene-1,2-diamine
CID 43741071

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine?
The IUPAC name of 1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine (CID 62816568) is 1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine is CCN1CCC(Nc2cc(F)c(F)cc2F)CC1.
What is the InChIKey of 1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine?
The InChIKey is VLOAMFFHMGMRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2/c1-2-18-5-3-9(4-6-18)17-13-8-11(15)10(14)7-12(13)16/h7-9,17H,2-6H2,1H3.
What are the key properties of 1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine?
1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine has a molecular weight of 258.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2,4,5-trifluorophenyl)piperidin-4-amine is sourced from PubChem (CID 62816568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).