2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine

C14H15F2NO — CID 117380799

IUPAC2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine
SMILESFc1cc(F)c2occc2c1CC1CCCCN1
InChIInChI=1S/C14H15F2NO/c15-12-8-13(16)14-10(4-6-18-14)11(12)7-9-3-1-2-5-17-9/h4,6,8-9,17H,1-3,5,7H2
InChIKeyFSFZUSMYCSMEJD-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.40
Rot. Bonds2

About 2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine

2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine (PubChem CID 117380799) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine
PubChem CID117380799
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC Name2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine
SMILESFc1cc(F)c2occc2c1CC1CCCCN1
InChIInChI=1S/C14H15F2NO/c15-12-8-13(16)14-10(4-6-18-14)11(12)7-9-3-1-2-5-17-9/h4,6,8-9,17H,1-3,5,7H2
InChIKeyFSFZUSMYCSMEJD-UHFFFAOYSA-N
XLogP3.40
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(8-methylfuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine
CID 115010239
2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117432392
4-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320371
2-(4,6-difluoro-1-benzofuran-7-yl)pyrrolidine
CID 117319206
6-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
CID 84632406
(5,7-difluoro-1-benzofuran-4-yl)methanol
CID 117279692
6-fluoro-3-methyl-2-(piperidin-2-ylmethyl)phenol
CID 117320369
2-[(3,5-difluorophenyl)methyl]piperidine
CID 62791911
7-fluoro-2-methyl-3-(piperidin-2-ylmethyl)-1H-indole
CID 84632388
2-[(2,3,5-trifluorophenyl)methyl]piperidine
CID 117118174
4-chloro-3,6-difluoro-2-(piperidin-2-ylmethyl)phenol
CID 117409121
8-fluoro-6-(piperidin-2-ylmethyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117451478

Frequently Asked Questions

What is the IUPAC name of 2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine?
The IUPAC name of 2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine (CID 117380799) is 2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine.
What is the SMILES notation for 2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine?
The canonical SMILES for 2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine is Fc1cc(F)c2occc2c1CC1CCCCN1.
What is the InChIKey of 2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine?
The InChIKey is FSFZUSMYCSMEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c15-12-8-13(16)14-10(4-6-18-14)11(12)7-9-3-1-2-5-17-9/h4,6,8-9,17H,1-3,5,7H2.
What are the key properties of 2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine?
2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine has a molecular weight of 251.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,7-difluoro-1-benzofuran-4-yl)methyl]piperidine is sourced from PubChem (CID 117380799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).