(3R,4R)-4-(3-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine

C14H15ClFNO — CID 20775583

IUPAC(3R,4R)-4-(3-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine
SMILESC[C@H]1CNCC[C@H]1c1cc(F)cc2c(Cl)coc12
InChIInChI=1S/C14H15ClFNO/c1-8-6-17-3-2-10(8)11-4-9(16)5-12-13(15)7-18-14(11)12/h4-5,7-8,10,17H,2-3,6H2,1H3/t8-,10+/m0/s1
InChIKeyUYSQERXJRWHMEQ-WCBMZHEXSA-N
MW267.73 g/mol
LogP3.94
Rot. Bonds1

About (3R,4R)-4-(3-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine

(3R,4R)-4-(3-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine (PubChem CID 20775583) has the molecular formula C14H15ClFNO and a molecular weight of 267.73 g/mol. Its IUPAC name is (3R,4R)-4-(3-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine.

Molecular Properties

Compound Name(3R,4R)-4-(3-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine
PubChem CID20775583
Molecular FormulaC14H15ClFNO
Molecular Weight267.73 g/mol
Exact Mass267.08
IUPAC Name(3R,4R)-4-(3-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine
SMILESC[C@H]1CNCC[C@H]1c1cc(F)cc2c(Cl)coc12
InChIInChI=1S/C14H15ClFNO/c1-8-6-17-3-2-10(8)11-4-9(16)5-12-13(15)7-18-14(11)12/h4-5,7-8,10,17H,2-3,6H2,1H3/t8-,10+/m0/s1
InChIKeyUYSQERXJRWHMEQ-WCBMZHEXSA-N
XLogP3.94
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.73
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-Fluoro-1-benzofuran-7-yl)-3-methylpiperidine
CID 22495529
4-(5-Fluoro-1-benzofuran-7-yl)-3-methylpiperidine
CID 22495533
4-(5-Fluoro-1-benzofuran-7-yl)-3,3-dimethylpiperidine
CID 22495543
3-Methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine
CID 22495560
4-(4,6-Difluoro-1-benzofuran-7-yl)-3-methylpiperidine
CID 22495707
3-(1-Benzofuran-7-ylmethyl)piperidine
CID 84784098
3-Methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine
CID 22495694
4-(5-Chloro-1-benzofuran-7-yl)-3-methylpiperidine
CID 22495769
1-(3-Chloro-5-fluoro-1-benzofuran-7-yl)propan-2-amine
CID 9881722
4-(2-Ethyl-6-fluoro-1-benzofuran-3-yl)piperidine
CID 10377302
4-(6-Fluoro-2-methyl-1-benzofuran-3-yl)piperidine
CID 10399088
4-(6-Fluoro-3-benzofuranyl)piperidine
CID 10443409

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(3-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine?
The IUPAC name of (3R,4R)-4-(3-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine (CID 20775583) is (3R,4R)-4-(3-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine.
What is the SMILES notation for (3R,4R)-4-(3-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine?
The canonical SMILES for (3R,4R)-4-(3-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine is C[C@H]1CNCC[C@H]1c1cc(F)cc2c(Cl)coc12.
What is the InChIKey of (3R,4R)-4-(3-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine?
The InChIKey is UYSQERXJRWHMEQ-WCBMZHEXSA-N. The full InChI is InChI=1S/C14H15ClFNO/c1-8-6-17-3-2-10(8)11-4-9(16)5-12-13(15)7-18-14(11)12/h4-5,7-8,10,17H,2-3,6H2,1H3/t8-,10+/m0/s1.
What are the key properties of (3R,4R)-4-(3-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine?
(3R,4R)-4-(3-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine has a molecular weight of 267.73 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(3-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine is sourced from PubChem (CID 20775583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).