3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine

C14H17F2NO — CID 117385746

IUPAC3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
SMILESFc1cc2c(c(F)c1CC1CCCNC1)CCO2
InChIInChI=1S/C14H17F2NO/c15-12-7-13-10(3-5-18-13)14(16)11(12)6-9-2-1-4-17-8-9/h7,9,17H,1-6,8H2
InChIKeyPOYFWYKBPLRKHE-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.44
Rot. Bonds2

About 3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine

3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine (PubChem CID 117385746) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
PubChem CID117385746
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
SMILESFc1cc2c(c(F)c1CC1CCCNC1)CCO2
InChIInChI=1S/C14H17F2NO/c15-12-7-13-10(3-5-18-13)14(16)11(12)6-9-2-1-4-17-8-9/h7,9,17H,1-6,8H2
InChIKeyPOYFWYKBPLRKHE-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]piperidine
CID 117460257
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
CID 84802944
3-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidine
CID 90697244
3-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperidine
CID 84785524
(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 84769578
2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
CID 84790076
3-[(7-fluoro-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117346793
4-[4,5-difluoro-2-(piperidin-3-ylmethyl)phenyl]morpholine
CID 117118029
6-chloro-5-(piperidin-3-ylmethyl)-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117456202
3-[(4-chloro-2,3,5,6-tetrafluorophenyl)methyl]piperidine
CID 117118055
1-(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)piperazine
CID 84800463
2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol
CID 84814288

Frequently Asked Questions

What is the IUPAC name of 3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine?
The IUPAC name of 3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine (CID 117385746) is 3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine.
What is the SMILES notation for 3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine?
The canonical SMILES for 3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine is Fc1cc2c(c(F)c1CC1CCCNC1)CCO2.
What is the InChIKey of 3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine?
The InChIKey is POYFWYKBPLRKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-12-7-13-10(3-5-18-13)14(16)11(12)6-9-2-1-4-17-8-9/h7,9,17H,1-6,8H2.
What are the key properties of 3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine?
3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine has a molecular weight of 253.29 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine is sourced from PubChem (CID 117385746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).