1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine

C14H22FN3 — CID 116946820

IUPAC1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCC(C)(C(N)c1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C14H22FN3/c1-14(2,18-8-6-17-7-9-18)13(16)11-4-3-5-12(15)10-11/h3-5,10,13,17H,6-9,16H2,1-2H3
InChIKeyFOXGNYREHFHAAQ-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.51
Rot. Bonds3

About 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine

1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine (PubChem CID 116946820) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine
PubChem CID116946820
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCC(C)(C(N)c1cccc(F)c1)N1CCNCC1
InChIInChI=1S/C14H22FN3/c1-14(2,18-8-6-17-7-9-18)13(16)11-4-3-5-12(15)10-11/h3-5,10,13,17H,6-9,16H2,1-2H3
InChIKeyFOXGNYREHFHAAQ-UHFFFAOYSA-N
XLogP1.51
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine
CID 79051086
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755
(3R)-3-(3-fluorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171178483
1-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 116932697
2,2-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 84661885
1-[(3-fluorophenyl)-(4-methylphenyl)methyl]piperazine
CID 3971092
1-(3,5-difluorophenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79045322
1-(2,4-dimethylphenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 116946807
1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599252
1-[(1S)-1-(3-fluorophenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305039
1-(3-fluoro-5-methylphenyl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79703609
1-[(S)-(3-fluorophenyl)-thiophen-2-ylmethyl]piperazine
CID 92754518

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine (CID 116946820) is 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine is CC(C)(C(N)c1cccc(F)c1)N1CCNCC1.
What is the InChIKey of 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine?
The InChIKey is FOXGNYREHFHAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-14(2,18-8-6-17-7-9-18)13(16)11-4-3-5-12(15)10-11/h3-5,10,13,17H,6-9,16H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine?
1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine has a molecular weight of 251.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116946820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).