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

C17H28FN3 — CID 63634964

IUPAC3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
SMILESCCNC(CCN1CCN(C)C(C)C1)c1ccccc1F
InChIInChI=1S/C17H28FN3/c1-4-19-17(15-7-5-6-8-16(15)18)9-10-21-12-11-20(3)14(2)13-21/h5-8,14,17,19H,4,9-13H2,1-3H3
InChIKeyTZWBSRKOTXWFDX-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.50
Rot. Bonds6

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

3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine (PubChem CID 63634964) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
PubChem CID63634964
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
SMILESCCNC(CCN1CCN(C)C(C)C1)c1ccccc1F
InChIInChI=1S/C17H28FN3/c1-4-19-17(15-7-5-6-8-16(15)18)9-10-21-12-11-20(3)14(2)13-21/h5-8,14,17,19H,4,9-13H2,1-3H3
InChIKeyTZWBSRKOTXWFDX-UHFFFAOYSA-N
XLogP2.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]piperidin-3-ol
CID 62642826
3-(azocan-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine
CID 62644973
1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol
CID 103358509
1-(2-chlorophenyl)-3-(3,4-dimethylpiperazin-1-yl)-N-methylpropan-1-amine
CID 63635128
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 63635824
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-propylpropan-1-amine
CID 62645138
N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539589
3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63619578
1-[3-(2-chlorophenyl)-3-(ethylamino)propyl]-3-methylpiperidin-4-ol
CID 114682044
1-[3-(2-bromophenyl)-3-(ethylamino)propyl]-4-methylpiperidin-3-ol
CID 102966991
4-(3,4-dimethylpiperazin-1-yl)-2-(ethylamino)butan-1-ol
CID 64791833
3-(azepan-1-yl)-1-(2-fluorophenyl)-N-methylpropan-1-amine
CID 62644958

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine (CID 63634964) is 3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine is CCNC(CCN1CCN(C)C(C)C1)c1ccccc1F.
What is the InChIKey of 3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is TZWBSRKOTXWFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-4-19-17(15-7-5-6-8-16(15)18)9-10-21-12-11-20(3)14(2)13-21/h5-8,14,17,19H,4,9-13H2,1-3H3.
What are the key properties of 3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine?
3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpiperazin-1-yl)-N-ethyl-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 63634964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).