4-(2,3-dimethyl-1-benzofuran-4-yl)-1-methylpiperidine

C16H21NO — CID 23468855

IUPAC4-(2,3-dimethyl-1-benzofuran-4-yl)-1-methylpiperidine
SMILESCc1oc2cccc(C3CCN(C)CC3)c2c1C
InChIInChI=1S/C16H21NO/c1-11-12(2)18-15-6-4-5-14(16(11)15)13-7-9-17(3)10-8-13/h4-6,13H,7-10H2,1-3H3
InChIKeyBGLWHBCJQHXGPF-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.86
Rot. Bonds1

About 4-(2,3-dimethyl-1-benzofuran-4-yl)-1-methylpiperidine

4-(2,3-dimethyl-1-benzofuran-4-yl)-1-methylpiperidine (PubChem CID 23468855) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(2,3-dimethyl-1-benzofuran-4-yl)-1-methylpiperidine.

Molecular Properties

Compound Name4-(2,3-dimethyl-1-benzofuran-4-yl)-1-methylpiperidine
PubChem CID23468855
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-(2,3-dimethyl-1-benzofuran-4-yl)-1-methylpiperidine
SMILESCc1oc2cccc(C3CCN(C)CC3)c2c1C
InChIInChI=1S/C16H21NO/c1-11-12(2)18-15-6-4-5-14(16(11)15)13-7-9-17(3)10-8-13/h4-6,13H,7-10H2,1-3H3
InChIKeyBGLWHBCJQHXGPF-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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Related Compounds

(2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 9928332
(2-Benzofuran-6-yl-ethyl)-((S)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 44313303
1-[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]ethanone
CID 9884652
cyclopropyl[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]methanone
CID 10133949
1-[3-(2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)phenyl]-1-propanone
CID 11394346
Racemic 4-(benzo[b]furan-2-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline
CID 68993987
N-[[(1R)-2-[2-(4-phenylbutyl)-1-benzofuran-4-yl]cyclopropyl]methyl]acetamide
CID 44394435
1-(2-Ethyl-benzofuran-3-yl)-3-piperidin-1-yl-propan-1-one
CID 6603145
3-(Benzofuran-2-yl)-1-azabicyclo[2.2.2]oct-2-ene
CID 9859365
N-{3-[2-(4-Phenyl-butyl)-benzofuran-4-yl]-propyl}-isobutyramide
CID 10022490
4-{2-[2-(4-Methyl-1-piperidinyl)ethyl]-1-benzofuran-5-yl}benzonitrile
CID 10291205
N-{3-[2-(4-Phenyl-butyl)-benzofuran-4-yl]-propyl}-propionamide
CID 10384120

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-1-benzofuran-4-yl)-1-methylpiperidine?
The IUPAC name of 4-(2,3-dimethyl-1-benzofuran-4-yl)-1-methylpiperidine (CID 23468855) is 4-(2,3-dimethyl-1-benzofuran-4-yl)-1-methylpiperidine.
What is the SMILES notation for 4-(2,3-dimethyl-1-benzofuran-4-yl)-1-methylpiperidine?
The canonical SMILES for 4-(2,3-dimethyl-1-benzofuran-4-yl)-1-methylpiperidine is Cc1oc2cccc(C3CCN(C)CC3)c2c1C.
What is the InChIKey of 4-(2,3-dimethyl-1-benzofuran-4-yl)-1-methylpiperidine?
The InChIKey is BGLWHBCJQHXGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11-12(2)18-15-6-4-5-14(16(11)15)13-7-9-17(3)10-8-13/h4-6,13H,7-10H2,1-3H3.
What are the key properties of 4-(2,3-dimethyl-1-benzofuran-4-yl)-1-methylpiperidine?
4-(2,3-dimethyl-1-benzofuran-4-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-(2,3-dimethyl-1-benzofuran-4-yl)-1-methylpiperidine is sourced from PubChem (CID 23468855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).