1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine

C15H22FN3 — CID 93355113

IUPAC1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
SMILESFc1ccccc1N1CCN(C[C@H]2CCCN2)CC1
InChIInChI=1S/C15H22FN3/c16-14-5-1-2-6-15(14)19-10-8-18(9-11-19)12-13-4-3-7-17-13/h1-2,5-6,13,17H,3-4,7-12H2/t13-/m1/s1
InChIKeyLWFMLRCXBPWEGF-CYBMUJFWSA-N
MW263.36 g/mol
LogP1.70
Rot. Bonds3

About 1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine

1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine (PubChem CID 93355113) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
PubChem CID93355113
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine
SMILESFc1ccccc1N1CCN(C[C@H]2CCCN2)CC1
InChIInChI=1S/C15H22FN3/c16-14-5-1-2-6-15(14)19-10-8-18(9-11-19)12-13-4-3-7-17-13/h1-2,5-6,13,17H,3-4,7-12H2/t13-/m1/s1
InChIKeyLWFMLRCXBPWEGF-CYBMUJFWSA-N
XLogP1.70
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-4-[[(2S)-pyrrolidin-2-yl]methyl]piperazine
CID 93022446
1-(2-fluorophenyl)-4-[(3-methylpyrrolidin-2-yl)methyl]piperazine
CID 102775666
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]azepane
CID 64569761
3-[[(2S)-pyrrolidin-2-yl]methyl]-1,2,4,5-tetrahydro-3-benzazepine
CID 104870238
1-(2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine
CID 97185936
3-ethyl-1-(2-fluorophenyl)-1,4-diazepane
CID 64942718
[6-chloro-1-[[(2S)-pyrrolidin-2-yl]methyl]indol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 56839963
N'-[1-(2-fluorophenyl)piperidin-3-yl]-N-(pyrrolidin-2-ylmethyl)oxamide
CID 166237838
1-[[(2S)-pyrrolidin-2-yl]methyl]-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine
CID 164916943
4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]cyclopent-2-en-1-amine
CID 79207543
2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]azepane
CID 64569763
3-ethyl-1-(2-fluorophenyl)piperazine
CID 64924612

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine (CID 93355113) is 1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine is Fc1ccccc1N1CCN(C[C@H]2CCCN2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine?
The InChIKey is LWFMLRCXBPWEGF-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22FN3/c16-14-5-1-2-6-15(14)19-10-8-18(9-11-19)12-13-4-3-7-17-13/h1-2,5-6,13,17H,3-4,7-12H2/t13-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine?
1-(2-fluorophenyl)-4-[[(2R)-pyrrolidin-2-yl]methyl]piperazine has a molecular weight of 263.36 g/mol, XLogP of 1.70, 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-[[(2R)-pyrrolidin-2-yl]methyl]piperazine is sourced from PubChem (CID 93355113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).