N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline

C16H23F3N2 — CID 43307549

IUPACN-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline
SMILESCCN1CCC(C(C)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H23F3N2/c1-3-21-9-7-13(8-10-21)12(2)20-15-6-4-5-14(11-15)16(17,18)19/h4-6,11-13,20H,3,7-10H2,1-2H3
InChIKeyNROZBMRSQWXCTQ-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.24
Rot. Bonds4

About N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline

N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline (PubChem CID 43307549) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline
PubChem CID43307549
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline
SMILESCCN1CCC(C(C)Nc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H23F3N2/c1-3-21-9-7-13(8-10-21)12(2)20-15-6-4-5-14(11-15)16(17,18)19/h4-6,11-13,20H,3,7-10H2,1-2H3
InChIKeyNROZBMRSQWXCTQ-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(1-ethylpiperidin-4-yl)ethylamino]phenol
CID 43308530
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methylsulfanylaniline
CID 43307452
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,5-difluoroaniline
CID 43308012
N-(1-cyclopropylpropyl)-3-(trifluoromethyl)aniline
CID 64920498
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,6-difluoroaniline
CID 43308670
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-fluoro-4-methoxyaniline
CID 43380417
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43307675
3-[1-(1-methylpiperidin-4-yl)ethylamino]benzoic acid
CID 43308766
4-chloro-N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-methoxyaniline
CID 107620997
2-[4-(difluoromethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 166601910
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(trifluoromethyl)aniline
CID 43758490
N-(1-cyclopropylethyl)-3-ethylaniline
CID 43196050

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline (CID 43307549) is N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline is CCN1CCC(C(C)Nc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline?
The InChIKey is NROZBMRSQWXCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-3-21-9-7-13(8-10-21)12(2)20-15-6-4-5-14(11-15)16(17,18)19/h4-6,11-13,20H,3,7-10H2,1-2H3.
What are the key properties of N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline?
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3-(trifluoromethyl)aniline has a molecular weight of 300.37 g/mol, XLogP of 4.24, 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-4-yl)ethyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 43307549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).