N-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine

C17H28FN3 — CID 62558359

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine
SMILESCCCCNCC(C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H28FN3/c1-3-4-9-19-14-15(2)20-10-12-21(13-11-20)17-7-5-16(18)6-8-17/h5-8,15,19H,3-4,9-14H2,1-2H3
InChIKeyNRUAZBXEUDULKM-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.73
Rot. Bonds7

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine (PubChem CID 62558359) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine
PubChem CID62558359
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine
SMILESCCCCNCC(C)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H28FN3/c1-3-4-9-19-14-15(2)20-10-12-21(13-11-20)17-7-5-16(18)6-8-17/h5-8,15,19H,3-4,9-14H2,1-2H3
InChIKeyNRUAZBXEUDULKM-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-ethyl-4-[4-(4-fluorophenyl)piperazin-1-yl]pentan-1-amine
CID 62424032
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpropan-1-amine
CID 62425501
N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine
CID 62558685
ethane;1-(4-fluorophenyl)-4-propan-2-ylpiperazine
CID 144656780
N-[2-(4-pyridin-2-ylpiperazin-1-yl)propyl]hexan-1-amine
CID 13345125
N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine
CID 62557992
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
(2S)-2-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoylamino]hexanoic acid
CID 120615005
N-ethyl-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 78698233
N-(2-piperidin-1-ylpropyl)octan-1-amine
CID 63452848
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-2-ol
CID 110181226

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine (CID 62558359) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine is CCCCNCC(C)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine?
The InChIKey is NRUAZBXEUDULKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-3-4-9-19-14-15(2)20-10-12-21(13-11-20)17-7-5-16(18)6-8-17/h5-8,15,19H,3-4,9-14H2,1-2H3.
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-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-[2-[4-(4-fluorophenyl)piperazin-1-yl]propyl]butan-1-amine is sourced from PubChem (CID 62558359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).