N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline

C15H21F3N2 — CID 62810700

IUPACN-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline
SMILESCCN1CCCC(C(C)Nc2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C15H21F3N2/c1-3-20-6-4-5-11(9-20)10(2)19-12-7-13(16)15(18)14(17)8-12/h7-8,10-11,19H,3-6,9H2,1-2H3
InChIKeySOOJCDWOLKSVGJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.64
Rot. Bonds4

About N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline

N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline (PubChem CID 62810700) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline
PubChem CID62810700
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline
SMILESCCN1CCCC(C(C)Nc2cc(F)c(F)c(F)c2)C1
InChIInChI=1S/C15H21F3N2/c1-3-20-6-4-5-11(9-20)10(2)19-12-7-13(16)15(18)14(17)8-12/h7-8,10-11,19H,3-6,9H2,1-2H3
InChIKeySOOJCDWOLKSVGJ-UHFFFAOYSA-N
XLogP3.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4-difluoroaniline
CID 43307811
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,5-dimethoxyaniline
CID 43307671
5-bromo-N-[1-(1-ethylpiperidin-3-yl)ethyl]-2,4-difluoroaniline
CID 102853203
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
CID 43307715
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43307675
4-[1-(1-ethylpiperidin-3-yl)ethylamino]benzonitrile
CID 43307943
4-chloro-3-fluoro-N-[1-(1-propylpiperidin-3-yl)ethyl]aniline
CID 43721347
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline
CID 43308012
2,5-dichloro-N-[1-(1-ethylpiperidin-3-yl)ethyl]aniline
CID 43307449
N-[3-[1-(1-ethylpiperidin-3-yl)ethylamino]phenyl]acetamide
CID 43307791
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3-ethynylaniline
CID 43307335
1-(1-ethylpiperidin-3-yl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43307907

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline?
The IUPAC name of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline (CID 62810700) is N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline.
What is the SMILES notation for N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline?
The canonical SMILES for N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline is CCN1CCCC(C(C)Nc2cc(F)c(F)c(F)c2)C1.
What is the InChIKey of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline?
The InChIKey is SOOJCDWOLKSVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-3-20-6-4-5-11(9-20)10(2)19-12-7-13(16)15(18)14(17)8-12/h7-8,10-11,19H,3-6,9H2,1-2H3.
What are the key properties of N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline?
N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline has a molecular weight of 286.34 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpiperidin-3-yl)ethyl]-3,4,5-trifluoroaniline is sourced from PubChem (CID 62810700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).