1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine

C15H24FN3 — CID 116960892

IUPAC1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine
SMILESCNC(c1ccccc1F)C(C)CN1CCNCC1
InChIInChI=1S/C15H24FN3/c1-12(11-19-9-7-18-8-10-19)15(17-2)13-5-3-4-6-14(13)16/h3-6,12,15,17-18H,7-11H2,1-2H3
InChIKeyXHBQBSREZZBKKM-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.63
Rot. Bonds5

About 1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine

1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine (PubChem CID 116960892) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine
PubChem CID116960892
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine
SMILESCNC(c1ccccc1F)C(C)CN1CCNCC1
InChIInChI=1S/C15H24FN3/c1-12(11-19-9-7-18-8-10-19)15(17-2)13-5-3-4-6-14(13)16/h3-6,12,15,17-18H,7-11H2,1-2H3
InChIKeyXHBQBSREZZBKKM-UHFFFAOYSA-N
XLogP1.63
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
CID 115996832
1-[2-(2-fluorophenyl)-3-methylbutyl]piperazine
CID 82131506
1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine
CID 102967344
1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115996672
1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949640
1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 115996756
N,2-dimethyl-1-(3-methylthiophen-2-yl)-3-piperazin-1-ylpropan-1-amine
CID 116960907
2-methyl-1-(2-methylphenyl)-3-piperazin-1-ylpropan-1-amine
CID 116946622
1-[2-(2-methylphenyl)propyl]piperazine
CID 82509211
2-(1-piperazin-1-ylpropan-2-yl)phenol
CID 83837907
(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
CID 70936493
1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine
CID 116939924

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine (CID 116960892) is 1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine is CNC(c1ccccc1F)C(C)CN1CCNCC1.
What is the InChIKey of 1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine?
The InChIKey is XHBQBSREZZBKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-12(11-19-9-7-18-8-10-19)15(17-2)13-5-3-4-6-14(13)16/h3-6,12,15,17-18H,7-11H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine?
1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine has a molecular weight of 265.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116960892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).