1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine

C15H24FN3 — CID 63605368

IUPAC1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
SMILESCC(N)C(c1ccccc1F)N1CCN(C)C(C)C1
InChIInChI=1S/C15H24FN3/c1-11-10-19(9-8-18(11)3)15(12(2)17)13-6-4-5-7-14(13)16/h4-7,11-12,15H,8-10,17H2,1-3H3
InChIKeyDKAMTCXXQIQTRE-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.85
Rot. Bonds3

About 1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine

1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine (PubChem CID 63605368) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
PubChem CID63605368
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC Name1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
SMILESCC(N)C(c1ccccc1F)N1CCN(C)C(C)C1
InChIInChI=1S/C15H24FN3/c1-11-10-19(9-8-18(11)3)15(12(2)17)13-6-4-5-7-14(13)16/h4-7,11-12,15H,8-10,17H2,1-3H3
InChIKeyDKAMTCXXQIQTRE-UHFFFAOYSA-N
XLogP1.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine
CID 55018678
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)propan-2-amine
CID 104957874
1-(2,6-dimethylmorpholin-4-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018870
1-(3-ethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018925
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(2-fluorophenyl)propan-2-amine
CID 79916473
1-(4-butan-2-ylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 62773806
1-(3,4-dimethylpiperazin-1-yl)-1-(4-methylphenyl)propan-2-amine
CID 63603789
1-(2-ethylmorpholin-4-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018636
2-[1-(3,4-dimethylpiperazin-1-yl)ethyl]phenol
CID 82979211
1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62643379
1-(2-bromophenyl)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
CID 63605563
1-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 63156273

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine?
The IUPAC name of 1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine (CID 63605368) is 1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine?
The canonical SMILES for 1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine is CC(N)C(c1ccccc1F)N1CCN(C)C(C)C1.
What is the InChIKey of 1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine?
The InChIKey is DKAMTCXXQIQTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-11-10-19(9-8-18(11)3)15(12(2)17)13-6-4-5-7-14(13)16/h4-7,11-12,15H,8-10,17H2,1-3H3.
What are the key properties of 1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine?
1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine has a molecular weight of 265.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpiperazin-1-yl)-1-(2-fluorophenyl)propan-2-amine is sourced from PubChem (CID 63605368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).