1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine

C16H26FN3 — CID 114829218

IUPAC1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine
SMILESCC(Cc1cccc(F)c1)NCCN1CCN(C)CC1
InChIInChI=1S/C16H26FN3/c1-14(12-15-4-3-5-16(17)13-15)18-6-7-20-10-8-19(2)9-11-20/h3-5,13-14,18H,6-12H2,1-2H3
InChIKeyCUIHCGYHMBCAIS-UHFFFAOYSA-N
MW279.40 g/mol
LogP1.59
Rot. Bonds6

About 1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine

1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine (PubChem CID 114829218) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine
PubChem CID114829218
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine
SMILESCC(Cc1cccc(F)c1)NCCN1CCN(C)CC1
InChIInChI=1S/C16H26FN3/c1-14(12-15-4-3-5-16(17)13-15)18-6-7-20-10-8-19(2)9-11-20/h3-5,13-14,18H,6-12H2,1-2H3
InChIKeyCUIHCGYHMBCAIS-UHFFFAOYSA-N
XLogP1.59
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-piperidin-1-ylethyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 757431
4-[1-(3-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 106840986
N-(2-ethylsulfinylethyl)-1-(3-fluorophenyl)propan-2-amine
CID 113261405
N-(3-cyclopropylpropyl)-1-(3-fluorophenyl)propan-2-amine
CID 115890781
N-[2-(cyclopenten-1-yl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 113349094
1-phenyl-N-(2-piperidin-1-ylethyl)propan-2-amine
CID 114993345
1-phenyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 21152799
1-phenyl-N-(2-thiomorpholin-4-ylethyl)propan-2-amine
CID 114173711
N-[1-(3-fluorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 115716338
2-[2-(4-methylpiperazin-1-yl)ethylamino]-3-phenylpropan-1-ol
CID 82889725
1-(3-fluorophenyl)-N-(2-pyridin-3-ylethyl)propan-2-amine
CID 115709037
1-(3-fluorophenyl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 103901403

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine (CID 114829218) is 1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine is CC(Cc1cccc(F)c1)NCCN1CCN(C)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine?
The InChIKey is CUIHCGYHMBCAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-14(12-15-4-3-5-16(17)13-15)18-6-7-20-10-8-19(2)9-11-20/h3-5,13-14,18H,6-12H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine?
1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 114829218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).