1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine

C16H24FN3 — CID 102775666

IUPAC1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine
SMILESCC1CCNC1CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H24FN3/c1-13-6-7-18-15(13)12-19-8-10-20(11-9-19)16-5-3-2-4-14(16)17/h2-5,13,15,18H,6-12H2,1H3
InChIKeyRZGIALAZNZJQGB-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.95
Rot. Bonds3

About 1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine

1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine (PubChem CID 102775666) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine
PubChem CID102775666
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine
SMILESCC1CCNC1CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H24FN3/c1-13-6-7-18-15(13)12-19-8-10-20(11-9-19)16-5-3-2-4-14(16)17/h2-5,13,15,18H,6-12H2,1H3
InChIKeyRZGIALAZNZJQGB-UHFFFAOYSA-N
XLogP1.95
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
CID 93355113
1-(2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine
CID 97185936
1-(2-fluorophenyl)-4-(4-methylpiperidin-3-yl)piperazine
CID 66271782
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine
CID 79207543
2-cyclopropyl-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-amine
CID 60918844
6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]morpholin-3-one
CID 171700802
1-(2-fluorophenyl)-4-methoxypiperidine
CID 15403847
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
1-[2-(azetidin-3-yl)propyl]-4-(2-fluorophenyl)piperazine
CID 116679480
1-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl]piperidin-4-yl]-4-(2-fluorophenyl)piperazine
CID 7329180
1-(2-fluorophenyl)-4-[(1R,3R)-3-methylcyclopentyl]piperazine
CID 26458018
1-[[1-(bromomethyl)cyclopropyl]methyl]-4-(2-fluorophenyl)piperazine
CID 65013429

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine (CID 102775666) is 1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine is CC1CCNC1CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine?
The InChIKey is RZGIALAZNZJQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-13-6-7-18-15(13)12-19-8-10-20(11-9-19)16-5-3-2-4-14(16)17/h2-5,13,15,18H,6-12H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine?
1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine has a molecular weight of 277.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine is sourced from PubChem (CID 102775666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).