N-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine

C15H24FN3 — CID 115230606

IUPACN-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine
SMILESFc1ccccc1CCNCCCN1CCNCC1
InChIInChI=1S/C15H24FN3/c16-15-5-2-1-4-14(15)6-8-17-7-3-11-19-12-9-18-10-13-19/h1-2,4-5,17-18H,3,6-13H2
InChIKeyHHAMTZKJWFKRBE-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.25
Rot. Bonds7

About N-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine

N-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine (PubChem CID 115230606) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine
PubChem CID115230606
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine
SMILESFc1ccccc1CCNCCCN1CCNCC1
InChIInChI=1S/C15H24FN3/c16-15-5-2-1-4-14(15)6-8-17-7-3-11-19-12-9-18-10-13-19/h1-2,4-5,17-18H,3,6-13H2
InChIKeyHHAMTZKJWFKRBE-UHFFFAOYSA-N
XLogP1.25
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
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-(2-fluorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 54961161
N-[(2-bromophenyl)methyl]-3-piperazin-1-ylpropan-1-amine
CID 115230560
N-[2-(2-fluorophenyl)ethyl]-2-piperazin-1-ylacetamide
CID 28505813
N-[2-(2-fluorophenyl)ethyl]piperazine-1-sulfonamide
CID 28775779
2-(2-fluorophenyl)-N-(2-piperazin-1-ylethyl)acetamide
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3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
N-[2-(2-fluorophenyl)ethyl]pentan-1-amine
CID 28576989
N'-(naphthalen-1-ylmethyl)-N-(4-piperazin-1-ylbutyl)butane-1,4-diamine;hydrochloride
CID 45263554
3-[2-(2-fluorophenyl)ethylamino]propane-1-sulfonic acid
CID 58691927
2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768
N-[2-(2-fluorophenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28614584
2-(3-piperazin-1-ylpropyl)aniline
CID 82161391

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine (CID 115230606) is N-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine is Fc1ccccc1CCNCCCN1CCNCC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine?
The InChIKey is HHAMTZKJWFKRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c16-15-5-2-1-4-14(15)6-8-17-7-3-11-19-12-9-18-10-13-19/h1-2,4-5,17-18H,3,6-13H2.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine?
N-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine has a molecular weight of 265.38 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 115230606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).