4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine

C18H27NO — CID 79320927

IUPAC4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine
SMILESCC(C)C1CNCCC1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C18H27NO/c1-12(2)16-11-19-9-8-14(16)15-7-5-6-13-10-18(3,4)20-17(13)15/h5-7,12,14,16,19H,8-11H2,1-4H3
InChIKeyIDICHBUOWHFSBU-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.75
Rot. Bonds2

About 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine

4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine (PubChem CID 79320927) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine
PubChem CID79320927
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine
SMILESCC(C)C1CNCCC1c1cccc2c1OC(C)(C)C2
InChIInChI=1S/C18H27NO/c1-12(2)16-11-19-9-8-14(16)15-7-5-6-13-10-18(3,4)20-17(13)15/h5-7,12,14,16,19H,8-11H2,1-4H3
InChIKeyIDICHBUOWHFSBU-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-methylpyrrolidine
CID 64686696
4-(2,4-dichlorophenyl)-3-propan-2-ylpiperidine
CID 79321406
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-6-ethylmorpholine
CID 65126843
4-(4-bromo-2-fluorophenyl)-3-propan-2-ylpiperidine
CID 79320340
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-4,4-dimethyl-1,3-thiazolidine
CID 66228757
5-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxolan-2-one
CID 103439665
4-(2-chloro-6-fluorophenyl)-3-propan-2-ylpiperidine
CID 79320733
(2,2-dimethyl-3H-1-benzofuran-7-yl)-pyrrolidin-2-ylmethanol
CID 64512506
4-(4-bromophenyl)-3-propan-2-ylpiperidine
CID 79321311
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-1-ethylazepan-3-amine
CID 64507040
2-(2,2-dimethyl-3H-1-benzofuran-7-yl)oxane-3-carbonitrile
CID 64509043
1-(2,2-dimethyl-3H-1-benzofuran-7-yl)propan-2-amine
CID 64508577

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine?
The IUPAC name of 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine (CID 79320927) is 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine.
What is the SMILES notation for 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine?
The canonical SMILES for 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine is CC(C)C1CNCCC1c1cccc2c1OC(C)(C)C2.
What is the InChIKey of 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine?
The InChIKey is IDICHBUOWHFSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-12(2)16-11-19-9-8-14(16)15-7-5-6-13-10-18(3,4)20-17(13)15/h5-7,12,14,16,19H,8-11H2,1-4H3.
What are the key properties of 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine?
4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine has a molecular weight of 273.42 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-3H-1-benzofuran-7-yl)-3-propan-2-ylpiperidine is sourced from PubChem (CID 79320927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).