(3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride

C15H19ClFNO — CID 20775576

IUPAC(3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
SMILESCc1cc2cc(F)cc([C@@H]3CCNC[C@@H]3C)c2o1.Cl
InChIInChI=1S/C15H18FNO.ClH/c1-9-8-17-4-3-13(9)14-7-12(16)6-11-5-10(2)18-15(11)14;/h5-7,9,13,17H,3-4,8H2,1-2H3;1H/t9-,13+;/m0./s1
InChIKeyBLTMVDBVVFNAAC-BTJVGWIPSA-N
MW283.77 g/mol
LogP4.02
Rot. Bonds1

About (3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride

(3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride (PubChem CID 20775576) has the molecular formula C15H19ClFNO and a molecular weight of 283.77 g/mol. Its IUPAC name is (3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name(3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
PubChem CID20775576
Molecular FormulaC15H19ClFNO
Molecular Weight283.77 g/mol
Exact Mass283.11
IUPAC Name(3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
SMILESCc1cc2cc(F)cc([C@@H]3CCNC[C@@H]3C)c2o1.Cl
InChIInChI=1S/C15H18FNO.ClH/c1-9-8-17-4-3-13(9)14-7-12(16)6-11-5-10(2)18-15(11)14;/h5-7,9,13,17H,3-4,8H2,1-2H3;1H/t9-,13+;/m0./s1
InChIKeyBLTMVDBVVFNAAC-BTJVGWIPSA-N
XLogP4.02
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.77
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 22495554
3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride
CID 22495693
4-(4-fluoro-2-methylphenyl)-3-methylpiperidine
CID 66277962
4-(2,4-difluorophenyl)-3-methylpiperidine
CID 66279713
4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine
CID 107514264
4-(4-chloro-5-fluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 22495777
(3R,4R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 69231558
3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine
CID 22495560
4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride
CID 69230632
4-(4,6-difluoro-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 22495706
(3R,4R)-4-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylpiperidine
CID 51353699
4-(4-chloro-2-methylphenyl)-3-methylpiperidine
CID 69230633

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride?
The IUPAC name of (3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride (CID 20775576) is (3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride.
What is the SMILES notation for (3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride?
The canonical SMILES for (3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride is Cc1cc2cc(F)cc([C@@H]3CCNC[C@@H]3C)c2o1.Cl.
What is the InChIKey of (3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride?
The InChIKey is BLTMVDBVVFNAAC-BTJVGWIPSA-N. The full InChI is InChI=1S/C15H18FNO.ClH/c1-9-8-17-4-3-13(9)14-7-12(16)6-11-5-10(2)18-15(11)14;/h5-7,9,13,17H,3-4,8H2,1-2H3;1H/t9-,13+;/m0./s1.
What are the key properties of (3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride?
(3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride has a molecular weight of 283.77 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride is sourced from PubChem (CID 20775576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).