3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine

C15H20ClNO — CID 117418923

IUPAC3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
SMILESCC1Cc2cc(CC3CCCNC3)cc(Cl)c2O1
InChIInChI=1S/C15H20ClNO/c1-10-5-13-7-12(8-14(16)15(13)18-10)6-11-3-2-4-17-9-11/h7-8,10-11,17H,2-6,9H2,1H3
InChIKeyJKUMUOLDNXSQCW-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.21
Rot. Bonds2

About 3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine

3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine (PubChem CID 117418923) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
PubChem CID117418923
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
SMILESCC1Cc2cc(CC3CCCNC3)cc(Cl)c2O1
InChIInChI=1S/C15H20ClNO/c1-10-5-13-7-12(8-14(16)15(13)18-10)6-11-3-2-4-17-9-11/h7-8,10-11,17H,2-6,9H2,1H3
InChIKeyJKUMUOLDNXSQCW-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 119968788
4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117495209
3-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-7-yl)methyl]piperidine
CID 82245842
3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117477291
3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
CID 117494517
3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine
CID 117366081
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
3-[(1-methylpyrrol-3-yl)methyl]piperidine
CID 82280682
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117476637
1-[2-methyl-5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 82260280

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine?
The IUPAC name of 3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine (CID 117418923) is 3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine.
What is the SMILES notation for 3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine?
The canonical SMILES for 3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine is CC1Cc2cc(CC3CCCNC3)cc(Cl)c2O1.
What is the InChIKey of 3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine?
The InChIKey is JKUMUOLDNXSQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-10-5-13-7-12(8-14(16)15(13)18-10)6-11-3-2-4-17-9-11/h7-8,10-11,17H,2-6,9H2,1H3.
What are the key properties of 3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine?
3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine has a molecular weight of 265.78 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine is sourced from PubChem (CID 117418923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).