1-[(3-fluorooxolan-3-yl)methyl]piperazine

C9H17FN2O — CID 126845925

IUPAC1-[(3-fluorooxolan-3-yl)methyl]piperazine
SMILESFC1(CN2CCNCC2)CCOC1
InChIInChI=1S/C9H17FN2O/c10-9(1-6-13-8-9)7-12-4-2-11-3-5-12/h11H,1-8H2
InChIKeyVZFBJKUTCUJYRS-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.02
Rot. Bonds2

About 1-[(3-fluorooxolan-3-yl)methyl]piperazine

1-[(3-fluorooxolan-3-yl)methyl]piperazine (PubChem CID 126845925) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 1-[(3-fluorooxolan-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-fluorooxolan-3-yl)methyl]piperazine
PubChem CID126845925
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name1-[(3-fluorooxolan-3-yl)methyl]piperazine
SMILESFC1(CN2CCNCC2)CCOC1
InChIInChI=1S/C9H17FN2O/c10-9(1-6-13-8-9)7-12-4-2-11-3-5-12/h11H,1-8H2
InChIKeyVZFBJKUTCUJYRS-UHFFFAOYSA-N
XLogP0.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(Oxolan-3-yl)methyl]piperazine
CID 13742285
9-Methyl-2-oxa-6,9-diazaspiro(4.5)decane
CID 121207667
6-Methyl-2-oxa-6,9-diazaspiro[4.5]decane
CID 84021039
2,2-difluoro-N-methyl-3-(4-piperazin-1-ylbutoxy)propan-1-amine;ethane
CID 142386155
2,2-Difluoro-3-(4-piperazin-1-ylbutoxy)propan-1-amine
CID 163623639
1-(4-Fluoro-3-methyloxolan-3-yl)piperazine
CID 175957686
N-(oxolan-3-ylmethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55090315
N'-ethyl-N-(oxolan-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62553668
N'-methyl-N-(oxolan-3-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62560473
N-(oxolan-3-ylmethyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanamine
CID 62575080
N-(oxolan-3-ylmethyl)-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 62575497
N-methyl-1-[3-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]oxolan-3-yl]methanamine
CID 62968454

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorooxolan-3-yl)methyl]piperazine?
The IUPAC name of 1-[(3-fluorooxolan-3-yl)methyl]piperazine (CID 126845925) is 1-[(3-fluorooxolan-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[(3-fluorooxolan-3-yl)methyl]piperazine?
The canonical SMILES for 1-[(3-fluorooxolan-3-yl)methyl]piperazine is FC1(CN2CCNCC2)CCOC1.
What is the InChIKey of 1-[(3-fluorooxolan-3-yl)methyl]piperazine?
The InChIKey is VZFBJKUTCUJYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c10-9(1-6-13-8-9)7-12-4-2-11-3-5-12/h11H,1-8H2.
What are the key properties of 1-[(3-fluorooxolan-3-yl)methyl]piperazine?
1-[(3-fluorooxolan-3-yl)methyl]piperazine has a molecular weight of 188.25 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorooxolan-3-yl)methyl]piperazine is sourced from PubChem (CID 126845925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).