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

C13H17NO — CID 96763073

IUPAC(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
SMILESc1cc2c(cc1[C@@H]1CCCCN1)CCO2
InChIInChI=1S/C13H17NO/c1-2-7-14-12(3-1)10-4-5-13-11(9-10)6-8-15-13/h4-5,9,12,14H,1-3,6-8H2/t12-/m0/s1
InChIKeyVEGMSZXDZFHVIL-LBPRGKRZSA-N
MW203.28 g/mol
LogP2.44
Rot. Bonds1

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

(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine (PubChem CID 96763073) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
PubChem CID96763073
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine
SMILESc1cc2c(cc1[C@@H]1CCCCN1)CCO2
InChIInChI=1S/C13H17NO/c1-2-7-14-12(3-1)10-4-5-13-11(9-10)6-8-15-13/h4-5,9,12,14H,1-3,6-8H2/t12-/m0/s1
InChIKeyVEGMSZXDZFHVIL-LBPRGKRZSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)azetidine;hydrochloride
CID 171196730
2-(2,3-dihydro-1,4-benzodioxin-6-yl)azepane
CID 5210314
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine
CID 96765724
(3S)-3-(2,3-dihydro-1-benzofuran-5-yl)morpholine;hydrochloride
CID 171193100
5-cyclohexyl-2,3-dihydro-1-benzofuran
CID 150562442
(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidine;hydrochloride
CID 66519216
6-(2,3-dihydro-1-benzofuran-5-yl)piperidine-3-sulfonamide
CID 104544340
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazolidine
CID 129367473
5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine
CID 76936947
2-(2-methyl-2,3-dihydro-1H-inden-5-yl)piperidine
CID 83835758
5-(3-bromocycloheptyl)-2,3-dihydro-1-benzofuran
CID 104544406
2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine
CID 117436350

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine?
The IUPAC name of (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine (CID 96763073) is (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine.
What is the SMILES notation for (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine?
The canonical SMILES for (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine is c1cc2c(cc1[C@@H]1CCCCN1)CCO2.
What is the InChIKey of (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine?
The InChIKey is VEGMSZXDZFHVIL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-7-14-12(3-1)10-4-5-13-11(9-10)6-8-15-13/h4-5,9,12,14H,1-3,6-8H2/t12-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine?
(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine has a molecular weight of 203.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydro-1-benzofuran-5-yl)piperidine is sourced from PubChem (CID 96763073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).