3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride

C15H20ClNO — CID 22495693

IUPAC3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride
SMILESCc1cc2cccc(C3CCNCC3C)c2o1.Cl
InChIInChI=1S/C15H19NO.ClH/c1-10-9-16-7-6-13(10)14-5-3-4-12-8-11(2)17-15(12)14;/h3-5,8,10,13,16H,6-7,9H2,1-2H3;1H
InChIKeyPHKYUDHGTPHWDY-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.88
Rot. Bonds1

About 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride

3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride (PubChem CID 22495693) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride
PubChem CID22495693
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride
SMILESCc1cc2cccc(C3CCNCC3C)c2o1.Cl
InChIInChI=1S/C15H19NO.ClH/c1-10-9-16-7-6-13(10)14-5-3-4-12-8-11(2)17-15(12)14;/h3-5,8,10,13,16H,6-7,9H2,1-2H3;1H
InChIKeyPHKYUDHGTPHWDY-UHFFFAOYSA-N
XLogP3.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.88
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
(3R,4R)-4-(5-fluoro-2-methyl-1-benzofuran-7-yl)-3-methylpiperidine;hydrochloride
CID 20775576
4-(4-chloro-2-methylphenyl)-3-methylpiperidine;hydrochloride
CID 69230632
4-(4-fluoro-2-methylphenyl)-3-methylpiperidine
CID 66277962
4-(4-chloro-2-methylphenyl)-3-methylpiperidine
CID 69230633
2-methyl-1-benzofuran-7-ol;piperazine
CID 174956498
4-(2,3-difluoro-4-methylphenyl)-3-methylpiperidine
CID 107514264
3-methyl-4-naphthalen-2-ylpiperidine
CID 66277961
4-(2,4-difluorophenyl)-3-methylpiperidine
CID 66279713
3-methyl-4-[5-(trifluoromethyl)-1-benzofuran-7-yl]piperidine
CID 22495560
(3R,4R)-3-methyl-4-[4-(trifluoromethyl)-1-benzofuran-7-yl]piperidine;hydrochloride
CID 20775596
4-methoxy-3-(3-methylpiperidin-4-yl)-1H-indole
CID 114501337

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride?
The IUPAC name of 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride (CID 22495693) is 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride.
What is the SMILES notation for 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride?
The canonical SMILES for 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride is Cc1cc2cccc(C3CCNCC3C)c2o1.Cl.
What is the InChIKey of 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride?
The InChIKey is PHKYUDHGTPHWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.ClH/c1-10-9-16-7-6-13(10)14-5-3-4-12-8-11(2)17-15(12)14;/h3-5,8,10,13,16H,6-7,9H2,1-2H3;1H.
What are the key properties of 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride?
3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride has a molecular weight of 265.78 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methyl-1-benzofuran-7-yl)piperidine;hydrochloride is sourced from PubChem (CID 22495693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).