2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]

C19H20ClNO — CID 12733487

IUPAC2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]
SMILESCN1CCC2(CC1)c1ccccc1OC2c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO/c1-21-12-10-19(11-13-21)16-4-2-3-5-17(16)22-18(19)14-6-8-15(20)9-7-14/h2-9,18H,10-13H2,1H3
InChIKeyXOTQJASZWBSHNS-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.44
Rot. Bonds1

About 2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]

2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine] (PubChem CID 12733487) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine].

Molecular Properties

Compound Name2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]
PubChem CID12733487
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]
SMILESCN1CCC2(CC1)c1ccccc1OC2c1ccc(Cl)cc1
InChIInChI=1S/C19H20ClNO/c1-21-12-10-19(11-13-21)16-4-2-3-5-17(16)22-18(19)14-6-8-15(20)9-7-14/h2-9,18H,10-13H2,1H3
InChIKeyXOTQJASZWBSHNS-UHFFFAOYSA-N
XLogP4.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]?
The IUPAC name of 2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine] (CID 12733487) is 2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine].
What is the SMILES notation for 2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]?
The canonical SMILES for 2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine] is CN1CCC2(CC1)c1ccccc1OC2c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]?
The InChIKey is XOTQJASZWBSHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-21-12-10-19(11-13-21)16-4-2-3-5-17(16)22-18(19)14-6-8-15(20)9-7-14/h2-9,18H,10-13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine]?
2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine] has a molecular weight of 313.83 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1'-methylspiro[2H-1-benzofuran-3,4'-piperidine] is sourced from PubChem (CID 12733487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).