N-[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]piperidin-4-amine

C15H21F3N2 — CID 70653800

IUPACN-[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]piperidin-4-amine
SMILESCCc1ccc(C(NC2CCNCC2)C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2/c1-2-11-3-5-12(6-4-11)14(15(16,17)18)20-13-7-9-19-10-8-13/h3-6,13-14,19-20H,2,7-10H2,1H3
InChIKeyRWVVQFUUSPXKFW-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.19
Rot. Bonds4

About N-[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]piperidin-4-amine

N-[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]piperidin-4-amine (PubChem CID 70653800) has the molecular formula C15H21F3N2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]piperidin-4-amine
PubChem CID70653800
Molecular FormulaC15H21F3N2
Molecular Weight286.34 g/mol
Exact Mass286.17
IUPAC NameN-[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]piperidin-4-amine
SMILESCCc1ccc(C(NC2CCNCC2)C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2/c1-2-11-3-5-12(6-4-11)14(15(16,17)18)20-13-7-9-19-10-8-13/h3-6,13-14,19-20H,2,7-10H2,1H3
InChIKeyRWVVQFUUSPXKFW-UHFFFAOYSA-N
XLogP3.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]amino]azetidine-1-carboximidamide
CID 118527422
N-(4-ethylphenyl)piperidin-4-amine
CID 43829435
N-[2-(4-ethylphenyl)-2-methylpropyl]piperidin-4-amine
CID 115118551
N-[(1R)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 54000637
N-[(1S)-1-(4-fluorophenyl)ethyl]piperidin-4-amine
CID 81347749
1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 43484643
N-(4-ethylphenyl)pyrrolidin-3-amine
CID 79724567
N-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 62070851
1-[(1R)-1-(4-ethylphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303945
2-(cycloheptylamino)-2-(4-ethylphenyl)acetamide
CID 60997559
1-[(1R)-1-(4-ethylphenyl)-3,3,3-trifluoropropyl]piperazine;dihydrochloride
CID 171303944
4-[2-(4-butan-2-ylphenyl)ethyl]piperidine
CID 116925672

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]piperidin-4-amine?
The IUPAC name of N-[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]piperidin-4-amine (CID 70653800) is N-[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]piperidin-4-amine.
What is the SMILES notation for N-[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]piperidin-4-amine?
The canonical SMILES for N-[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]piperidin-4-amine is CCc1ccc(C(NC2CCNCC2)C(F)(F)F)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]piperidin-4-amine?
The InChIKey is RWVVQFUUSPXKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2/c1-2-11-3-5-12(6-4-11)14(15(16,17)18)20-13-7-9-19-10-8-13/h3-6,13-14,19-20H,2,7-10H2,1H3.
What are the key properties of N-[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]piperidin-4-amine?
N-[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]piperidin-4-amine has a molecular weight of 286.34 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]piperidin-4-amine is sourced from PubChem (CID 70653800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).