N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

C16H23F3N2 — CID 43760602

IUPACN-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)c1ccc(NC2CCN(CC(F)(F)F)CC2)cc1
InChIInChI=1S/C16H23F3N2/c1-12(2)13-3-5-14(6-4-13)20-15-7-9-21(10-8-15)11-16(17,18)19/h3-6,12,15,20H,7-11H2,1-2H3
InChIKeyWIEQBMDUXJBJJF-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.25
Rot. Bonds4

About N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine

N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (PubChem CID 43760602) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
PubChem CID43760602
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC NameN-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
SMILESCC(C)c1ccc(NC2CCN(CC(F)(F)F)CC2)cc1
InChIInChI=1S/C16H23F3N2/c1-12(2)13-3-5-14(6-4-13)20-15-7-9-21(10-8-15)11-16(17,18)19/h3-6,12,15,20H,7-11H2,1-2H3
InChIKeyWIEQBMDUXJBJJF-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzene-1,4-diamine
CID 144655800
1-methyl-5-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]pyridin-2-one
CID 60932164
N-[1-(4-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43766678
N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 66352549
N-(3-bromo-5-methylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 104938423
N-(2-phenylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43769154
N-(4-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43785130
N-[(1R)-1-(3-fluorophenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81369741
N-[(1S)-1-(furan-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81403823
N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772940
3-[1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethyl]phenol
CID 43791625
N-(2-bromo-5-chlorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 81270640

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The IUPAC name of N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine (CID 43760602) is N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The canonical SMILES for N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is CC(C)c1ccc(NC2CCN(CC(F)(F)F)CC2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
The InChIKey is WIEQBMDUXJBJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-12(2)13-3-5-14(6-4-13)20-15-7-9-21(10-8-15)11-16(17,18)19/h3-6,12,15,20H,7-11H2,1-2H3.
What are the key properties of N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine?
N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine has a molecular weight of 300.37 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine is sourced from PubChem (CID 43760602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).