2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine

C16H23F3N2 — CID 64940187

IUPAC2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine
SMILESCCCC1CN(c2cc(F)cc(F)c2F)C(C(C)C)CN1
InChIInChI=1S/C16H23F3N2/c1-4-5-12-9-21(15(8-20-12)10(2)3)14-7-11(17)6-13(18)16(14)19/h6-7,10,12,15,20H,4-5,8-9H2,1-3H3
InChIKeyPQVLBXGAHKVJMW-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.71
Rot. Bonds4

About 2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine

2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine (PubChem CID 64940187) has the molecular formula C16H23F3N2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine.

Molecular Properties

Compound Name2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine
PubChem CID64940187
Molecular FormulaC16H23F3N2
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Name2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine
SMILESCCCC1CN(c2cc(F)cc(F)c2F)C(C(C)C)CN1
InChIInChI=1S/C16H23F3N2/c1-4-5-12-9-21(15(8-20-12)10(2)3)14-7-11(17)6-13(18)16(14)19/h6-7,10,12,15,20H,4-5,8-9H2,1-3H3
InChIKeyPQVLBXGAHKVJMW-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine
CID 64935312
1-(4-fluoro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64932857
1-(3-fluoro-4-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64930640
1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64933308
1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
CID 114840951
1-(4-bromo-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64934509
1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine
CID 64939430
1-(3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64933006
1-[(2,5-difluorophenyl)methyl]-2-propan-2-yl-5-propylpiperazine
CID 64839165
1-(2,5-difluorophenyl)-2-methyl-5-propylpiperazine
CID 64932182
1-(2-bromo-4-fluorophenyl)-5-ethyl-2-propan-2-ylpiperazine
CID 64933948
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine
CID 64930588

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine?
The IUPAC name of 2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine (CID 64940187) is 2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine.
What is the SMILES notation for 2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine?
The canonical SMILES for 2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine is CCCC1CN(c2cc(F)cc(F)c2F)C(C(C)C)CN1.
What is the InChIKey of 2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine?
The InChIKey is PQVLBXGAHKVJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2/c1-4-5-12-9-21(15(8-20-12)10(2)3)14-7-11(17)6-13(18)16(14)19/h6-7,10,12,15,20H,4-5,8-9H2,1-3H3.
What are the key properties of 2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine?
2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine has a molecular weight of 300.37 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine is sourced from PubChem (CID 64940187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).