1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine

C15H22F3N3 — CID 63795052

IUPAC1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCN(CC(F)(F)F)CC2)cc1
InChIInChI=1S/C15H22F3N3/c1-12(19)10-13-2-4-14(5-3-13)21-8-6-20(7-9-21)11-15(16,17)18/h2-5,12H,6-11,19H2,1H3
InChIKeyPNELPNBRLMYZKV-UHFFFAOYSA-N
MW301.36 g/mol
LogP2.26
Rot. Bonds4

About 1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine

1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine (PubChem CID 63795052) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine
PubChem CID63795052
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine
SMILESCC(N)Cc1ccc(N2CCN(CC(F)(F)F)CC2)cc1
InChIInChI=1S/C15H22F3N3/c1-12(19)10-13-2-4-14(5-3-13)21-8-6-20(7-9-21)11-15(16,17)18/h2-5,12H,6-11,19H2,1H3
InChIKeyPNELPNBRLMYZKV-UHFFFAOYSA-N
XLogP2.26
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 67513524
1-[4-(4-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786073
1-[[4-(2-methylpropyl)phenyl]methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 155207572
1-[4-(4-tert-butylpiperidin-1-yl)phenyl]propan-2-amine
CID 63794137
1-[4-(4-ethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63817435
1-[4-[4-(methoxymethyl)piperidin-1-yl]phenyl]propan-2-amine
CID 63980117
1-[4-(3-methylpiperidin-1-yl)phenyl]propan-2-amine
CID 63786246
2-methyl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]benzenecarbothioamide
CID 81269941
1-[2-amino-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]ethanone
CID 104528796
1-[4-(3-morpholin-4-ylpyrrolidin-1-yl)phenyl]propan-2-amine
CID 63794882
1-[1-(2,2,2-trifluoroethyl)pyrrol-3-yl]propan-2-amine
CID 66406500
3-methoxy-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]aniline
CID 80734647

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine?
The IUPAC name of 1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine (CID 63795052) is 1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine.
What is the SMILES notation for 1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine?
The canonical SMILES for 1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine is CC(N)Cc1ccc(N2CCN(CC(F)(F)F)CC2)cc1.
What is the InChIKey of 1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine?
The InChIKey is PNELPNBRLMYZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-12(19)10-13-2-4-14(5-3-13)21-8-6-20(7-9-21)11-15(16,17)18/h2-5,12H,6-11,19H2,1H3.
What are the key properties of 1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine?
1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine has a molecular weight of 301.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]propan-2-amine is sourced from PubChem (CID 63795052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).