5-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpiperidine

C17H25NO — CID 104823484

IUPAC5-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpiperidine
SMILESCC1CCC(CCCc2ccc3c(c2)CCO3)CN1
InChIInChI=1S/C17H25NO/c1-13-5-6-15(12-18-13)4-2-3-14-7-8-17-16(11-14)9-10-19-17/h7-8,11,13,15,18H,2-6,9-10,12H2,1H3
InChIKeyKUXFMKCWSJSYJG-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.33
Rot. Bonds4

About 5-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpiperidine

5-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpiperidine (PubChem CID 104823484) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 5-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpiperidine.

Molecular Properties

Compound Name5-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpiperidine
PubChem CID104823484
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name5-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpiperidine
SMILESCC1CCC(CCCc2ccc3c(c2)CCO3)CN1
InChIInChI=1S/C17H25NO/c1-13-5-6-15(12-18-13)4-2-3-14-7-8-17-16(11-14)9-10-19-17/h7-8,11,13,15,18H,2-6,9-10,12H2,1H3
InChIKeyKUXFMKCWSJSYJG-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine
CID 65446309
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethyl-5-methylpiperazine
CID 65442076
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpropan-1-amine
CID 65446095
N-[6-(2,3-dihydro-1-benzofuran-5-yl)hexyl]cyclopropanamine
CID 65308356
2-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106635582
O-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydroxylamine
CID 83698233
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine
CID 65443042
5-(2-isocyanoethyl)-2,3-dihydro-1-benzofuran
CID 83481552
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]ethane-1,2-diamine
CID 65444450
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpropan-2-amine
CID 64866852
4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine
CID 116925700
N-[(3-chlorocyclopentyl)methyl]-2-(2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 106120915

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpiperidine?
The IUPAC name of 5-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpiperidine (CID 104823484) is 5-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpiperidine.
What is the SMILES notation for 5-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpiperidine?
The canonical SMILES for 5-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpiperidine is CC1CCC(CCCc2ccc3c(c2)CCO3)CN1.
What is the InChIKey of 5-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpiperidine?
The InChIKey is KUXFMKCWSJSYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13-5-6-15(12-18-13)4-2-3-14-7-8-17-16(11-14)9-10-19-17/h7-8,11,13,15,18H,2-6,9-10,12H2,1H3.
What are the key properties of 5-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpiperidine?
5-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpiperidine has a molecular weight of 259.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpiperidine is sourced from PubChem (CID 104823484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).