2-(difluoromethyl)-4-(4-fluorophenyl)-1-propylpiperazine

C14H19F3N2 — CID 144656729

IUPAC2-(difluoromethyl)-4-(4-fluorophenyl)-1-propylpiperazine
SMILESCCCN1CCN(c2ccc(F)cc2)CC1C(F)F
InChIInChI=1S/C14H19F3N2/c1-2-7-18-8-9-19(10-13(18)14(16)17)12-5-3-11(15)4-6-12/h3-6,13-14H,2,7-10H2,1H3
InChIKeyGEXVEFZLLUDHOI-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.99
Rot. Bonds4

About 2-(difluoromethyl)-4-(4-fluorophenyl)-1-propylpiperazine

2-(difluoromethyl)-4-(4-fluorophenyl)-1-propylpiperazine (PubChem CID 144656729) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-(4-fluorophenyl)-1-propylpiperazine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-(4-fluorophenyl)-1-propylpiperazine
PubChem CID144656729
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name2-(difluoromethyl)-4-(4-fluorophenyl)-1-propylpiperazine
SMILESCCCN1CCN(c2ccc(F)cc2)CC1C(F)F
InChIInChI=1S/C14H19F3N2/c1-2-7-18-8-9-19(10-13(18)14(16)17)12-5-3-11(15)4-6-12/h3-6,13-14H,2,7-10H2,1H3
InChIKeyGEXVEFZLLUDHOI-UHFFFAOYSA-N
XLogP2.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(difluoromethyl)-4-(4-fluorophenyl)-1-methylpiperazine
CID 90268032
(3S)-3-(difluoromethyl)-1-(4-fluorophenyl)piperazine
CID 125499820
4-(4-fluorophenyl)-1-methylpiperazine-2-carboxylic acid
CID 66509723
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
(3aS,6aS)-5-(4-fluorophenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 170208688
(5R)-3,3-diethyl-5-[2-[(2R)-4-(4-fluorophenyl)-2-methylpiperazin-1-yl]ethyl]oxolan-2-one
CID 167327841
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol
CID 110181226
2-amino-2-[1-(4-fluorophenyl)pyrrolidin-3-yl]acetic acid
CID 83981558
3-[4-(4-fluorophenyl)piperazin-1-yl]pentanoic acid
CID 63069456
3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]pentan-3-ol
CID 115919273
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
CID 163344141

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-(4-fluorophenyl)-1-propylpiperazine?
The IUPAC name of 2-(difluoromethyl)-4-(4-fluorophenyl)-1-propylpiperazine (CID 144656729) is 2-(difluoromethyl)-4-(4-fluorophenyl)-1-propylpiperazine.
What is the SMILES notation for 2-(difluoromethyl)-4-(4-fluorophenyl)-1-propylpiperazine?
The canonical SMILES for 2-(difluoromethyl)-4-(4-fluorophenyl)-1-propylpiperazine is CCCN1CCN(c2ccc(F)cc2)CC1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-(4-fluorophenyl)-1-propylpiperazine?
The InChIKey is GEXVEFZLLUDHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-2-7-18-8-9-19(10-13(18)14(16)17)12-5-3-11(15)4-6-12/h3-6,13-14H,2,7-10H2,1H3.
What are the key properties of 2-(difluoromethyl)-4-(4-fluorophenyl)-1-propylpiperazine?
2-(difluoromethyl)-4-(4-fluorophenyl)-1-propylpiperazine has a molecular weight of 272.31 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-(4-fluorophenyl)-1-propylpiperazine is sourced from PubChem (CID 144656729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).