4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol

C13H16FNO3 — CID 117385671

IUPAC4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol
SMILESOc1c(CC2CCNCC2)cc2c(c1F)OCO2
InChIInChI=1S/C13H16FNO3/c14-11-12(16)9(5-8-1-3-15-4-2-8)6-10-13(11)18-7-17-10/h6,8,15-16H,1-5,7H2
InChIKeyIUZMBTZWFUFIOB-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.80
Rot. Bonds2

About 4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol

4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol (PubChem CID 117385671) has the molecular formula C13H16FNO3 and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol
PubChem CID117385671
Molecular FormulaC13H16FNO3
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol
SMILESOc1c(CC2CCNCC2)cc2c(c1F)OCO2
InChIInChI=1S/C13H16FNO3/c14-11-12(16)9(5-8-1-3-15-4-2-8)6-10-13(11)18-7-17-10/h6,8,15-16H,1-5,7H2
InChIKeyIUZMBTZWFUFIOB-UHFFFAOYSA-N
XLogP1.80
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-6-(piperidin-2-ylmethyl)-1,3-benzodioxol-5-ol
CID 117385663
2,3,4-trifluoro-6-(piperidin-4-ylmethyl)phenol
CID 117364515
4-[(6-chloro-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117387532
6-(2-aminoethyl)-4-fluoro-1,3-benzodioxol-5-ol
CID 117288236
4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117460260
2,4-difluoro-3-methylsulfonyl-6-(piperidin-4-ylmethyl)phenol
CID 117490642
4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117376581
4-ethyl-2-fluoro-6-(piperidin-4-ylmethyl)phenol
CID 84798682
2,3,4-trifluoro-6-(pyrrolidin-3-ylmethyl)phenol
CID 84794176
4-fluoro-2-methyl-6-(piperidin-4-ylmethyl)phenol
CID 84789132
4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
CID 117324891
3-(7-fluoro-6-hydroxy-1,3-benzodioxol-5-yl)propanal
CID 117302558

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol?
The IUPAC name of 4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol (CID 117385671) is 4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol.
What is the SMILES notation for 4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol?
The canonical SMILES for 4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol is Oc1c(CC2CCNCC2)cc2c(c1F)OCO2.
What is the InChIKey of 4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol?
The InChIKey is IUZMBTZWFUFIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO3/c14-11-12(16)9(5-8-1-3-15-4-2-8)6-10-13(11)18-7-17-10/h6,8,15-16H,1-5,7H2.
What are the key properties of 4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol?
4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol has a molecular weight of 253.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(piperidin-4-ylmethyl)-1,3-benzodioxol-5-ol is sourced from PubChem (CID 117385671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).