3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine

C14H16FNO — CID 117338299

IUPAC3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine
SMILESFc1ccc2occc2c1CC1CCCNC1
InChIInChI=1S/C14H16FNO/c15-13-3-4-14-11(5-7-17-14)12(13)8-10-2-1-6-16-9-10/h3-5,7,10,16H,1-2,6,8-9H2
InChIKeyXGHJRYKDUGSXBQ-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.11
Rot. Bonds2

About 3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine

3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine (PubChem CID 117338299) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine
PubChem CID117338299
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine
SMILESFc1ccc2occc2c1CC1CCCNC1
InChIInChI=1S/C14H16FNO/c15-13-3-4-14-11(5-7-17-14)12(13)8-10-2-1-6-16-9-10/h3-5,7,10,16H,1-2,6,8-9H2
InChIKeyXGHJRYKDUGSXBQ-UHFFFAOYSA-N
XLogP3.11
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-3-(piperidin-3-ylmethyl)phenol
CID 84814288
4-fluoro-3-(piperidin-3-ylmethyl)benzene-1,2-diol
CID 117323650
3-[(6-fluoro-2,3-dimethoxyphenyl)methyl]piperidine
CID 117386358
(3S)-3-[(6-fluoro-1-benzofuran-3-yl)methyl]piperidine
CID 176570011
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
CID 84802944
3-[(2,3,4,5,6-pentafluorophenyl)methyl]piperidine
CID 90697244
3-[(2-bromo-3,4-difluorophenyl)methyl]piperidine
CID 84814784
2-fluoro-3-(piperidin-3-ylmethyl)benzene-1,4-diol
CID 84790076
4-[(5-chloro-1-benzofuran-4-yl)methyl]piperidine
CID 117378095
N-(piperidin-3-ylmethyl)furo[3,2-c]pyridin-4-amine
CID 106535248
3-iodo-1-(piperidin-3-ylmethyl)furo[2,3-g]indazole
CID 70231381
(3R,4R)-4-(5-fluoro-1-benzofuran-4-yl)-3-methylpiperidine;hydrochloride
CID 20775602

Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine?
The IUPAC name of 3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine (CID 117338299) is 3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine.
What is the SMILES notation for 3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine?
The canonical SMILES for 3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine is Fc1ccc2occc2c1CC1CCCNC1.
What is the InChIKey of 3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine?
The InChIKey is XGHJRYKDUGSXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c15-13-3-4-14-11(5-7-17-14)12(13)8-10-2-1-6-16-9-10/h3-5,7,10,16H,1-2,6,8-9H2.
What are the key properties of 3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine?
3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine has a molecular weight of 233.29 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-1-benzofuran-4-yl)methyl]piperidine is sourced from PubChem (CID 117338299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).