3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine

C15H24FN3O — CID 43251327

IUPAC3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
SMILESCOc1ccc(CN2CCN(CCCN)CC2)cc1F
InChIInChI=1S/C15H24FN3O/c1-20-15-4-3-13(11-14(15)16)12-19-9-7-18(8-10-19)6-2-5-17/h3-4,11H,2,5-10,12,17H2,1H3
InChIKeyWKHJBIQYLGCKFZ-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.30
Rot. Bonds6

About 3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine

3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine (PubChem CID 43251327) has the molecular formula C15H24FN3O and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
PubChem CID43251327
Molecular FormulaC15H24FN3O
Molecular Weight281.38 g/mol
Exact Mass281.19
IUPAC Name3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
SMILESCOc1ccc(CN2CCN(CCCN)CC2)cc1F
InChIInChI=1S/C15H24FN3O/c1-20-15-4-3-13(11-14(15)16)12-19-9-7-18(8-10-19)6-2-5-17/h3-4,11H,2,5-10,12,17H2,1H3
InChIKeyWKHJBIQYLGCKFZ-UHFFFAOYSA-N
XLogP1.30
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43251546
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine
CID 71886708
4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbaldehyde
CID 91359286
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carbonitrile
CID 48940722
2-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxyethanamine
CID 82692295
1-butyl-4-[(3,4-dimethoxyphenyl)methyl]piperazine
CID 174368866
4-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylmorpholine
CID 51335547
1-[2-(benzenesulfonyl)ethyl]-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 33071081
1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
CID 66202694
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
3-[4-[(3-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 43251514
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]cyclohexan-1-ol
CID 110883553

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine (CID 43251327) is 3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine is COc1ccc(CN2CCN(CCCN)CC2)cc1F.
What is the InChIKey of 3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine?
The InChIKey is WKHJBIQYLGCKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O/c1-20-15-4-3-13(11-14(15)16)12-19-9-7-18(8-10-19)6-2-5-17/h3-4,11H,2,5-10,12,17H2,1H3.
What are the key properties of 3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine?
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine has a molecular weight of 281.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 43251327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).