4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]piperidine

C14H17F2NO — CID 117385750

IUPAC4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]piperidine
SMILESFc1cc(F)c2c(c1CC1CCNCC1)CCO2
InChIInChI=1S/C14H17F2NO/c15-12-8-13(16)14-10(3-6-18-14)11(12)7-9-1-4-17-5-2-9/h8-9,17H,1-7H2
InChIKeyYHZZWQWWEKKKKI-UHFFFAOYSA-N
MW253.29 g/mol
LogP2.44
Rot. Bonds2

About 4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]piperidine

4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]piperidine (PubChem CID 117385750) has the molecular formula C14H17F2NO and a molecular weight of 253.29 g/mol. Its IUPAC name is 4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]piperidine
PubChem CID117385750
Molecular FormulaC14H17F2NO
Molecular Weight253.29 g/mol
Exact Mass253.13
IUPAC Name4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]piperidine
SMILESFc1cc(F)c2c(c1CC1CCNCC1)CCO2
InChIInChI=1S/C14H17F2NO/c15-12-8-13(16)14-10(3-6-18-14)11(12)7-9-1-4-17-5-2-9/h8-9,17H,1-7H2
InChIKeyYHZZWQWWEKKKKI-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-(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)propan-1-amine
CID 117303834
3-[(4,6-difluoro-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117385746
3-(4,6-difluoro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine
CID 117322941
6-bromo-3,4-difluoro-2-(piperidin-4-ylmethyl)phenol
CID 117491239
2,4,5-trifluoro-3-(piperidin-4-ylmethyl)phenol
CID 117364513
4-[(3-chloro-2,5,6-trifluorophenyl)methyl]piperidine
CID 117414030
4-[(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117460260
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 117476646
4-chloro-3,6-difluoro-2-(piperidin-4-ylmethyl)phenol
CID 117409129
4-[(2,3,4,5-tetrafluorophenyl)methyl]piperidine
CID 117117923
4-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117408323

Frequently Asked Questions

What is the IUPAC name of 4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]piperidine?
The IUPAC name of 4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]piperidine (CID 117385750) is 4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]piperidine.
What is the SMILES notation for 4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]piperidine?
The canonical SMILES for 4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]piperidine is Fc1cc(F)c2c(c1CC1CCNCC1)CCO2.
What is the InChIKey of 4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]piperidine?
The InChIKey is YHZZWQWWEKKKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO/c15-12-8-13(16)14-10(3-6-18-14)11(12)7-9-1-4-17-5-2-9/h8-9,17H,1-7H2.
What are the key properties of 4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]piperidine?
4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-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 4-[(5,7-difluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]piperidine is sourced from PubChem (CID 117385750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).