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

C16H23NO — CID 65446309

IUPAC3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine
SMILESc1cc2c(cc1CCCC1CCCNC1)CCO2
InChIInChI=1S/C16H23NO/c1(4-14-5-2-9-17-12-14)3-13-6-7-16-15(11-13)8-10-18-16/h6-7,11,14,17H,1-5,8-10,12H2
InChIKeyZCNSHUMDJAXZAG-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.94
Rot. Bonds4

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

3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine (PubChem CID 65446309) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine.

Molecular Properties

Compound Name3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine
PubChem CID65446309
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine
SMILESc1cc2c(cc1CCCC1CCCNC1)CCO2
InChIInChI=1S/C16H23NO/c1(4-14-5-2-9-17-12-14)3-13-6-7-16-15(11-13)8-10-18-16/h6-7,11,14,17H,1-5,8-10,12H2
InChIKeyZCNSHUMDJAXZAG-UHFFFAOYSA-N
XLogP2.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-piperidin-3-ylethanamine
CID 115211376
5-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpiperidine
CID 104823484
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 106623790
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-5-amine
CID 115211290
3-(2,3-dihydro-1-benzofuran-6-ylmethyl)piperidine
CID 84785524
4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine
CID 116925700
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cycloheptan-1-amine
CID 65443042
pyrrolidin-3-yl 3-(2,3-dihydro-1-benzofuran-5-yl)propane-1-sulfonate
CID 87433842
5-[2-(3-chlorocycloheptyl)ethyl]-2,3-dihydro-1-benzofuran
CID 65443648
N-cyclopentyl-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119318107
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-3-carboxamide
CID 106779284
4-(2,3-dihydro-1-benzofuran-5-yl)-1-piperidin-4-ylbutan-2-one
CID 116559956

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine?
The IUPAC name of 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine (CID 65446309) is 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine.
What is the SMILES notation for 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine?
The canonical SMILES for 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine is c1cc2c(cc1CCCC1CCCNC1)CCO2.
What is the InChIKey of 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine?
The InChIKey is ZCNSHUMDJAXZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1(4-14-5-2-9-17-12-14)3-13-6-7-16-15(11-13)8-10-18-16/h6-7,11,14,17H,1-5,8-10,12H2.
What are the key properties of 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine?
3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine has a molecular weight of 245.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydro-1-benzofuran-5-yl)propyl]piperidine is sourced from PubChem (CID 65446309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).