ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine

C15H25FN2 — CID 144656780

IUPACethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
SMILESCC.CC(C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN2.C2H6/c1-11(2)15-7-9-16(10-8-15)13-5-3-12(14)4-6-13;1-2/h3-6,11H,7-10H2,1-2H3;1-2H3
InChIKeyXTYAMNMZGWRXRE-UHFFFAOYSA-N
MW252.38 g/mol
LogP3.38
Rot. Bonds2

About ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine

ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine (PubChem CID 144656780) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Nameethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
PubChem CID144656780
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC Nameethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
SMILESCC.CC(C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H19FN2.C2H6/c1-11(2)15-7-9-16(10-8-15)13-5-3-12(14)4-6-13;1-2/h3-6,11H,7-10H2,1-2H3;1-2H3
InChIKeyXTYAMNMZGWRXRE-UHFFFAOYSA-N
XLogP3.38
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 79414716
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 62425501
1-(4-ethenylphenyl)-4-propan-2-ylpiperazine
CID 141311274
1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine
CID 174450752
1-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]cyclopropan-1-amine
CID 117403011
1-(2,4-difluorophenyl)-4-propan-2-ylpiperazine
CID 20613804
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
CID 72839491
1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 7047274
1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine
CID 18423146
methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutanoate
CID 79413715
N-(2,4-difluorophenyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732675
1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine
CID 139958043

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine?
The IUPAC name of ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine (CID 144656780) is ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine.
What is the SMILES notation for ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine?
The canonical SMILES for ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine is CC.CC(C)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine?
The InChIKey is XTYAMNMZGWRXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2.C2H6/c1-11(2)15-7-9-16(10-8-15)13-5-3-12(14)4-6-13;1-2/h3-6,11H,7-10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine?
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine has a molecular weight of 252.38 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 144656780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).