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

C13H17NO — CID 96763066

IUPAC(3R)-3-(2,3-dihydro-1-benzofuran-4-yl)piperidine
SMILESc1cc2c(c([C@H]3CCCNC3)c1)CCO2
InChIInChI=1S/C13H17NO/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,4-5,10,14H,2-3,6-9H2/t10-/m0/s1
InChIKeySXKQTDUMUGHGEQ-JTQLQIEISA-N
MW203.28 g/mol
LogP2.09
Rot. Bonds1

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

(3R)-3-(2,3-dihydro-1-benzofuran-4-yl)piperidine (PubChem CID 96763066) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is (3R)-3-(2,3-dihydro-1-benzofuran-4-yl)piperidine.

Molecular Properties

Compound Name(3R)-3-(2,3-dihydro-1-benzofuran-4-yl)piperidine
PubChem CID96763066
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name(3R)-3-(2,3-dihydro-1-benzofuran-4-yl)piperidine
SMILESc1cc2c(c([C@H]3CCCNC3)c1)CCO2
InChIInChI=1S/C13H17NO/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,4-5,10,14H,2-3,6-9H2/t10-/m0/s1
InChIKeySXKQTDUMUGHGEQ-JTQLQIEISA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 82602979
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CID 131172256
(3R)-3-(2,3-difluorophenyl)piperidine
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3-(2,3-dichlorophenyl)piperidine
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3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)piperidine
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7-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indole
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4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine
CID 123608868
2-[(3R)-piperidin-3-yl]benzonitrile
CID 93478487
2-(2,3-dihydro-1-benzofuran-4-yl)-2,3-dihydro-1,3-benzoxazole
CID 166716951
3-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
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ethane;3-(2-methylphenyl)piperidine
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(3S)-3-(3-bromo-2-methylphenyl)piperidine
CID 130792046

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,3-dihydro-1-benzofuran-4-yl)piperidine?
The IUPAC name of (3R)-3-(2,3-dihydro-1-benzofuran-4-yl)piperidine (CID 96763066) is (3R)-3-(2,3-dihydro-1-benzofuran-4-yl)piperidine.
What is the SMILES notation for (3R)-3-(2,3-dihydro-1-benzofuran-4-yl)piperidine?
The canonical SMILES for (3R)-3-(2,3-dihydro-1-benzofuran-4-yl)piperidine is c1cc2c(c([C@H]3CCCNC3)c1)CCO2.
What is the InChIKey of (3R)-3-(2,3-dihydro-1-benzofuran-4-yl)piperidine?
The InChIKey is SXKQTDUMUGHGEQ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17NO/c1-4-11(10-3-2-7-14-9-10)12-6-8-15-13(12)5-1/h1,4-5,10,14H,2-3,6-9H2/t10-/m0/s1.
What are the key properties of (3R)-3-(2,3-dihydro-1-benzofuran-4-yl)piperidine?
(3R)-3-(2,3-dihydro-1-benzofuran-4-yl)piperidine has a molecular weight of 203.28 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,3-dihydro-1-benzofuran-4-yl)piperidine is sourced from PubChem (CID 96763066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).