2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine

C16H26FN3 — CID 62425501

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H26FN3/c1-13(2)18-12-14(3)19-8-10-20(11-9-19)16-6-4-15(17)5-7-16/h4-7,13-14,18H,8-12H2,1-3H3
InChIKeyDHXNGGRDZFFQMF-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.33
Rot. Bonds5

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine (PubChem CID 62425501) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine
PubChem CID62425501
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCC(C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H26FN3/c1-13(2)18-12-14(3)19-8-10-20(11-9-19)16-6-4-15(17)5-7-16/h4-7,13-14,18H,8-12H2,1-3H3
InChIKeyDHXNGGRDZFFQMF-UHFFFAOYSA-N
XLogP2.33
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine 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

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine
CID 62558359
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine
CID 62424032
1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 7047274
3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 79414716
3-(4-phenylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 62425822
1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 2846364
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429
1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine
CID 18423146
methyl 3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutanoate
CID 79413715
1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-4-pyrrolidin-1-ylpentan-1-one
CID 91785686

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine (CID 62425501) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine is CC(C)NCC(C)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine?
The InChIKey is DHXNGGRDZFFQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-13(2)18-12-14(3)19-8-10-20(11-9-19)16-6-4-15(17)5-7-16/h4-7,13-14,18H,8-12H2,1-3H3.
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62425501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).