N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine

C17H28FN3 — CID 62424032

IUPACN-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine
SMILESCCNCCCC(C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H28FN3/c1-3-19-10-4-5-15(2)20-11-13-21(14-12-20)17-8-6-16(18)7-9-17/h6-9,15,19H,3-5,10-14H2,1-2H3
InChIKeyFBIRSAGXWARTIP-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.73
Rot. Bonds7

About N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine

N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine (PubChem CID 62424032) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine
PubChem CID62424032
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC NameN-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine
SMILESCCNCCCC(C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H28FN3/c1-3-19-10-4-5-15(2)20-11-13-21(14-12-20)17-8-6-16(18)7-9-17/h6-9,15,19H,3-5,10-14H2,1-2H3
InChIKeyFBIRSAGXWARTIP-UHFFFAOYSA-N
XLogP2.73
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine
CID 62558359
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 62425501
1-(4-fluorophenyl)-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 7047274
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
N-ethyl-4-thiomorpholin-4-ylpentan-1-amine
CID 62417328
1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 2846364
N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine
CID 62776961
N-(3-ethoxypropyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 134038228
3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 79414716
(2S)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]hexanoic acid
CID 120615005

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine (CID 62424032) is N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine is CCNCCCC(C)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine?
The InChIKey is FBIRSAGXWARTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-3-19-10-4-5-15(2)20-11-13-21(14-12-20)17-8-6-16(18)7-9-17/h6-9,15,19H,3-5,10-14H2,1-2H3.
What are the key properties of N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine?
N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 62424032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).