4-(6-fluoro-2-methyl-1-benzofuran-3-yl)piperidine

C14H16FNO — CID 10399088

IUPAC4-(6-fluoro-2-methyl-1-benzofuran-3-yl)piperidine
SMILESCc1oc2cc(F)ccc2c1C1CCNCC1
InChIInChI=1S/C14H16FNO/c1-9-14(10-4-6-16-7-5-10)12-3-2-11(15)8-13(12)17-9/h2-3,8,10,16H,4-7H2,1H3
InChIKeySPTJWDPBKLRVCD-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.35
Rot. Bonds1

About 4-(6-fluoro-2-methyl-1-benzofuran-3-yl)piperidine

4-(6-fluoro-2-methyl-1-benzofuran-3-yl)piperidine (PubChem CID 10399088) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 4-(6-fluoro-2-methyl-1-benzofuran-3-yl)piperidine.

Molecular Properties

Compound Name4-(6-fluoro-2-methyl-1-benzofuran-3-yl)piperidine
PubChem CID10399088
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name4-(6-fluoro-2-methyl-1-benzofuran-3-yl)piperidine
SMILESCc1oc2cc(F)ccc2c1C1CCNCC1
InChIInChI=1S/C14H16FNO/c1-9-14(10-4-6-16-7-5-10)12-3-2-11(15)8-13(12)17-9/h2-3,8,10,16H,4-7H2,1H3
InChIKeySPTJWDPBKLRVCD-UHFFFAOYSA-N
XLogP3.35
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-2-methyl-1-benzofuran-3-yl)piperidine?
The IUPAC name of 4-(6-fluoro-2-methyl-1-benzofuran-3-yl)piperidine (CID 10399088) is 4-(6-fluoro-2-methyl-1-benzofuran-3-yl)piperidine.
What is the SMILES notation for 4-(6-fluoro-2-methyl-1-benzofuran-3-yl)piperidine?
The canonical SMILES for 4-(6-fluoro-2-methyl-1-benzofuran-3-yl)piperidine is Cc1oc2cc(F)ccc2c1C1CCNCC1.
What is the InChIKey of 4-(6-fluoro-2-methyl-1-benzofuran-3-yl)piperidine?
The InChIKey is SPTJWDPBKLRVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-9-14(10-4-6-16-7-5-10)12-3-2-11(15)8-13(12)17-9/h2-3,8,10,16H,4-7H2,1H3.
What are the key properties of 4-(6-fluoro-2-methyl-1-benzofuran-3-yl)piperidine?
4-(6-fluoro-2-methyl-1-benzofuran-3-yl)piperidine has a molecular weight of 233.29 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2-methyl-1-benzofuran-3-yl)piperidine is sourced from PubChem (CID 10399088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).