4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine

C17H25NO — CID 79320311

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine
SMILESCC(C)CC1CNCCC1c1ccc2c(c1)CCO2
InChIInChI=1S/C17H25NO/c1-12(2)9-15-11-18-7-5-16(15)13-3-4-17-14(10-13)6-8-19-17/h3-4,10,12,15-16,18H,5-9,11H2,1-2H3
InChIKeySZWSLCYWWBXSFQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.36
Rot. Bonds3

About 4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine

4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine (PubChem CID 79320311) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine
PubChem CID79320311
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine
SMILESCC(C)CC1CNCCC1c1ccc2c(c1)CCO2
InChIInChI=1S/C17H25NO/c1-12(2)9-15-11-18-7-5-16(15)13-3-4-17-14(10-13)6-8-19-17/h3-4,10,12,15-16,18H,5-9,11H2,1-2H3
InChIKeySZWSLCYWWBXSFQ-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-cyclopropylphenyl)-3-(2-methylpropyl)piperidine
CID 79978067
3-(2,3-dihydro-1-benzofuran-5-yl)-4-(fluoromethyl)pyrrolidine
CID 121199381
4-(3-fluorophenyl)-3-(2-methylpropyl)piperidine
CID 79321584
[4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-yl]methanol
CID 121199351
4-(3-bromophenyl)-3-(2-methylpropyl)piperidine
CID 79321198
(3R,4R)-4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-3-amine
CID 129493232
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpropyl)pyrrolidine
CID 62763290
2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropan-1-amine
CID 43810363
1-[2-(2,3-dihydro-1-benzofuran-5-yl)-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 104545295
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine
CID 116870898
2-(2,3-dihydro-1-benzofuran-5-yl)-5-methyl-1,3-thiazolidine
CID 66244533

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine (CID 79320311) is 4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine is CC(C)CC1CNCCC1c1ccc2c(c1)CCO2.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine?
The InChIKey is SZWSLCYWWBXSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12(2)9-15-11-18-7-5-16(15)13-3-4-17-14(10-13)6-8-19-17/h3-4,10,12,15-16,18H,5-9,11H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine?
4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine has a molecular weight of 259.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-methylpropyl)piperidine is sourced from PubChem (CID 79320311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).