4-(4,7-dimethyl-1-benzofuran-2-yl)-1-methylpiperidine

C16H21NO — CID 23312283

IUPAC4-(4,7-dimethyl-1-benzofuran-2-yl)-1-methylpiperidine
SMILESCc1ccc(C)c2oc(C3CCN(C)CC3)cc12
InChIInChI=1S/C16H21NO/c1-11-4-5-12(2)16-14(11)10-15(18-16)13-6-8-17(3)9-7-13/h4-5,10,13H,6-9H2,1-3H3
InChIKeyPAXYRNNBFPKALY-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.86
Rot. Bonds1

About 4-(4,7-dimethyl-1-benzofuran-2-yl)-1-methylpiperidine

4-(4,7-dimethyl-1-benzofuran-2-yl)-1-methylpiperidine (PubChem CID 23312283) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(4,7-dimethyl-1-benzofuran-2-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(4,7-dimethyl-1-benzofuran-2-yl)-1-methylpiperidine
PubChem CID23312283
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-(4,7-dimethyl-1-benzofuran-2-yl)-1-methylpiperidine
SMILESCc1ccc(C)c2oc(C3CCN(C)CC3)cc12
InChIInChI=1S/C16H21NO/c1-11-4-5-12(2)16-14(11)10-15(18-16)13-6-8-17(3)9-7-13/h4-5,10,13H,6-9H2,1-3H3
InChIKeyPAXYRNNBFPKALY-UHFFFAOYSA-N
XLogP3.86
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4,7-dimethyl-1-benzofuran-2-yl)-1-methylpiperidine?
The IUPAC name of 4-(4,7-dimethyl-1-benzofuran-2-yl)-1-methylpiperidine (CID 23312283) is 4-(4,7-dimethyl-1-benzofuran-2-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(4,7-dimethyl-1-benzofuran-2-yl)-1-methylpiperidine?
The canonical SMILES for 4-(4,7-dimethyl-1-benzofuran-2-yl)-1-methylpiperidine is Cc1ccc(C)c2oc(C3CCN(C)CC3)cc12.
What is the InChIKey of 4-(4,7-dimethyl-1-benzofuran-2-yl)-1-methylpiperidine?
The InChIKey is PAXYRNNBFPKALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11-4-5-12(2)16-14(11)10-15(18-16)13-6-8-17(3)9-7-13/h4-5,10,13H,6-9H2,1-3H3.
What are the key properties of 4-(4,7-dimethyl-1-benzofuran-2-yl)-1-methylpiperidine?
4-(4,7-dimethyl-1-benzofuran-2-yl)-1-methylpiperidine has a molecular weight of 243.35 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,7-dimethyl-1-benzofuran-2-yl)-1-methylpiperidine is sourced from PubChem (CID 23312283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).