1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine

C19H23FN2OS — CID 77084296

IUPAC1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine
SMILESFc1ccccc1N1CCN(Cc2ccc(C3CCCO3)s2)CC1
InChIInChI=1S/C19H23FN2OS/c20-16-4-1-2-5-17(16)22-11-9-21(10-12-22)14-15-7-8-19(24-15)18-6-3-13-23-18/h1-2,4-5,7-8,18H,3,6,9-14H2
InChIKeyQOEOVFIEGBCHIX-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.06
Rot. Bonds4

About 1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine

1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine (PubChem CID 77084296) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine
PubChem CID77084296
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC Name1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine
SMILESFc1ccccc1N1CCN(Cc2ccc(C3CCCO3)s2)CC1
InChIInChI=1S/C19H23FN2OS/c20-16-4-1-2-5-17(16)22-11-9-21(10-12-22)14-15-7-8-19(24-15)18-6-3-13-23-18/h1-2,4-5,7-8,18H,3,6,9-14H2
InChIKeyQOEOVFIEGBCHIX-UHFFFAOYSA-N
XLogP4.06
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
CID 95877254
1-(3-methyl-2-pyridinyl)-4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
CID 95726464
6-[4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 74246038
1-[(1-methylimidazol-2-yl)methyl]-4-[[5-[(2R)-oxolan-2-yl]thiophen-2-yl]methyl]piperazine
CID 99951233
2,5-dimethyl-3-[4-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperazin-1-yl]pyrazine
CID 95143429
3-[1-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 99956248
1,4-dimethyl-9-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1,4,9-triazaspiro[5.5]undecane
CID 56749490
N-methyl-N-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 77083888
9-[[5-[(2S)-oxolan-2-yl]thiophen-2-yl]methyl]-1-oxa-4,9-diazaspiro[5.5]undecane
CID 126433881
5-[[5-[(2R)-oxan-2-yl]thiophen-2-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 99946534
[4-(2-fluorophenyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 40572583
1-(2-fluorophenyl)-4-[[(3S)-1-methylpiperidin-3-yl]methyl]piperazine
CID 97185936

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine (CID 77084296) is 1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine is Fc1ccccc1N1CCN(Cc2ccc(C3CCCO3)s2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine?
The InChIKey is QOEOVFIEGBCHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2OS/c20-16-4-1-2-5-17(16)22-11-9-21(10-12-22)14-15-7-8-19(24-15)18-6-3-13-23-18/h1-2,4-5,7-8,18H,3,6,9-14H2.
What are the key properties of 1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine?
1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine has a molecular weight of 346.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[[5-(oxolan-2-yl)thiophen-2-yl]methyl]piperazine is sourced from PubChem (CID 77084296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).