3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine

C17H28FN3 — CID 62643340

IUPAC3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
SMILESCC(C)(C)N1CCN(CCC(N)c2ccccc2F)CC1
InChIInChI=1S/C17H28FN3/c1-17(2,3)21-12-10-20(11-13-21)9-8-16(19)14-6-4-5-7-15(14)18/h4-7,16H,8-13,19H2,1-3H3
InChIKeyGGDRATDDTZVYBR-UHFFFAOYSA-N
MW293.43 g/mol
LogP2.63
Rot. Bonds4

About 3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine

3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine (PubChem CID 62643340) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
PubChem CID62643340
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC Name3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
SMILESCC(C)(C)N1CCN(CCC(N)c2ccccc2F)CC1
InChIInChI=1S/C17H28FN3/c1-17(2,3)21-12-10-20(11-13-21)9-8-16(19)14-6-4-5-7-15(14)18/h4-7,16H,8-13,19H2,1-3H3
InChIKeyGGDRATDDTZVYBR-UHFFFAOYSA-N
XLogP2.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-tert-butylpiperazin-1-yl)-1-(2-methylphenyl)propan-1-amine
CID 62625581
1-(2-bromophenyl)-3-(4-tert-butylpiperazin-1-yl)propan-1-amine
CID 62625582
1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62643582
1-(2-fluorophenyl)-3-thiomorpholin-4-ylpropan-1-amine
CID 62643929
1-(2-fluorophenyl)-3-piperazin-1-ylpropan-1-amine
CID 116939924
3-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643618
[1-[3-amino-3-(2-fluorophenyl)propyl]piperidin-4-yl]methanol
CID 62644418
3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 65281767
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 63635824
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-fluorophenyl)propan-1-amine
CID 62643237
3-(4-tert-butylpiperazin-1-yl)-1-(3-chlorophenyl)propan-1-amine
CID 62622896
1-[3-amino-3-(2-fluorophenyl)propyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474862

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine (CID 62643340) is 3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine is CC(C)(C)N1CCN(CCC(N)c2ccccc2F)CC1.
What is the InChIKey of 3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine?
The InChIKey is GGDRATDDTZVYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3/c1-17(2,3)21-12-10-20(11-13-21)9-8-16(19)14-6-4-5-7-15(14)18/h4-7,16H,8-13,19H2,1-3H3.
What are the key properties of 3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine?
3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine has a molecular weight of 293.43 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine is sourced from PubChem (CID 62643340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).