1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine

C15H22FN3O — CID 66202694

IUPAC1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(C3CNC3)CC2)cc1F
InChIInChI=1S/C15H22FN3O/c1-20-15-3-2-12(8-14(15)16)11-18-4-6-19(7-5-18)13-9-17-10-13/h2-3,8,13,17H,4-7,9-11H2,1H3
InChIKeyRHZMFHBNAGNTDR-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.92
Rot. Bonds4

About 1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine

1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine (PubChem CID 66202694) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
PubChem CID66202694
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(CN2CCN(C3CNC3)CC2)cc1F
InChIInChI=1S/C15H22FN3O/c1-20-15-3-2-12(8-14(15)16)11-18-4-6-19(7-5-18)13-9-17-10-13/h2-3,8,13,17H,4-7,9-11H2,1H3
InChIKeyRHZMFHBNAGNTDR-UHFFFAOYSA-N
XLogP0.92
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-fluoro-4-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 60916050
2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]cyclohexan-1-ol
CID 110883553
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70765614
3-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 43251327
4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbaldehyde
CID 91359286
1-[(3-fluoro-4-methoxyphenyl)methyl]-4-(3-piperidin-1-ylpropyl)piperazine
CID 71886708
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidine-4-carbonitrile
CID 48940722
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
1-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 64834581
cyclopropyl-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399346
(9aR)-2-[(3-fluoro-4-methoxyphenyl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 95225232
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 124628305

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine (CID 66202694) is 1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine is COc1ccc(CN2CCN(C3CNC3)CC2)cc1F.
What is the InChIKey of 1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine?
The InChIKey is RHZMFHBNAGNTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-20-15-3-2-12(8-14(15)16)11-18-4-6-19(7-5-18)13-9-17-10-13/h2-3,8,13,17H,4-7,9-11H2,1H3.
What are the key properties of 1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine?
1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine has a molecular weight of 279.36 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 66202694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).