2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine

C14H22FN3 — CID 117382128

IUPAC2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
SMILESCC(CN)c1ccc(N2CCN(C)CC2)c(F)c1
InChIInChI=1S/C14H22FN3/c1-11(10-16)12-3-4-14(13(15)9-12)18-7-5-17(2)6-8-18/h3-4,9,11H,5-8,10,16H2,1-2H3
InChIKeyFXYXPBGOWRKEBO-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.64
Rot. Bonds3

About 2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine

2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine (PubChem CID 117382128) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
PubChem CID117382128
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
SMILESCC(CN)c1ccc(N2CCN(C)CC2)c(F)c1
InChIInChI=1S/C14H22FN3/c1-11(10-16)12-3-4-14(13(15)9-12)18-7-5-17(2)6-8-18/h3-4,9,11H,5-8,10,16H2,1-2H3
InChIKeyFXYXPBGOWRKEBO-UHFFFAOYSA-N
XLogP1.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]butanal
CID 117415586
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 43505896
(1S)-1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 78939132
3-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-amine
CID 117384370
N-ethyl-1-[3-fluoro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]ethanamine
CID 43284437
[2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine
CID 177267332
1-[4-(azepan-1-yl)-3-fluorophenyl]ethanamine
CID 43188748
1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethanamine;dihydrochloride
CID 112758006
[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]methanamine
CID 83642807
1-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 47628205
O-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]hydroxylamine
CID 117351173
4-(2-fluoro-4-propan-2-ylphenyl)morpholine
CID 59216821

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine?
The IUPAC name of 2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine (CID 117382128) is 2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for 2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for 2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine is CC(CN)c1ccc(N2CCN(C)CC2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine?
The InChIKey is FXYXPBGOWRKEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-11(10-16)12-3-4-14(13(15)9-12)18-7-5-17(2)6-8-18/h3-4,9,11H,5-8,10,16H2,1-2H3.
What are the key properties of 2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine?
2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine has a molecular weight of 251.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 117382128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).