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

C15H24FN3 — CID 62437463

IUPACN-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine
SMILESCCNCC(C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H24FN3/c1-3-17-12-13(2)18-8-10-19(11-9-18)15-7-5-4-6-14(15)16/h4-7,13,17H,3,8-12H2,1-2H3
InChIKeyWXRMUQIDYTUILR-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.95
Rot. Bonds5

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

N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine (PubChem CID 62437463) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine
PubChem CID62437463
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC NameN-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine
SMILESCCNCC(C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C15H24FN3/c1-3-17-12-13(2)18-8-10-19(11-9-18)15-7-5-4-6-14(15)16/h4-7,13,17H,3,8-12H2,1-2H3
InChIKeyWXRMUQIDYTUILR-UHFFFAOYSA-N
XLogP1.95
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine
CID 62556416
2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one
CID 64868635
2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine
CID 60917598
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46043414
2-(4-butan-2-ylpiperazin-1-yl)-6-fluoroaniline
CID 62774418
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate
CID 51074732
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine
CID 131935560
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 112727664
2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine
CID 61325786
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine (CID 62437463) is N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine is CCNCC(C)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine?
The InChIKey is WXRMUQIDYTUILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-3-17-12-13(2)18-8-10-19(11-9-18)15-7-5-4-6-14(15)16/h4-7,13,17H,3,8-12H2,1-2H3.
What are the key properties of N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine?
N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine has a molecular weight of 265.38 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 62437463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).