(2R)-2-(4,5-dimethylfuran-2-yl)piperidine;hydrochloride

C11H18ClNO — CID 171195696

IUPAC(2R)-2-(4,5-dimethylfuran-2-yl)piperidine;hydrochloride
SMILESCc1cc([C@H]2CCCCN2)oc1C.Cl
InChIInChI=1S/C11H17NO.ClH/c1-8-7-11(13-9(8)2)10-5-3-4-6-12-10;/h7,10,12H,3-6H2,1-2H3;1H/t10-;/m1./s1
InChIKeyKFBALKUYLPIHQH-HNCPQSOCSA-N
MW215.72 g/mol
LogP3.13
Rot. Bonds1

About (2R)-2-(4,5-dimethylfuran-2-yl)piperidine;hydrochloride

(2R)-2-(4,5-dimethylfuran-2-yl)piperidine;hydrochloride (PubChem CID 171195696) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is (2R)-2-(4,5-dimethylfuran-2-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(4,5-dimethylfuran-2-yl)piperidine;hydrochloride
PubChem CID171195696
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name(2R)-2-(4,5-dimethylfuran-2-yl)piperidine;hydrochloride
SMILESCc1cc([C@H]2CCCCN2)oc1C.Cl
InChIInChI=1S/C11H17NO.ClH/c1-8-7-11(13-9(8)2)10-5-3-4-6-12-10;/h7,10,12H,3-6H2,1-2H3;1H/t10-;/m1./s1
InChIKeyKFBALKUYLPIHQH-HNCPQSOCSA-N
XLogP3.13
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,5-dimethylfuran-2-yl)-4-ethylpiperidine
CID 130495164
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444
2-(2,5-dimethylfuran-3-yl)pyrrolidine
CID 54594405
2,5-dimethyl-4-piperidin-2-ylaniline
CID 58255114
(2S)-2-(4-methoxy-3,5-dimethylphenyl)piperidine;hydrochloride
CID 171195127
2-methyl-5-[(2S)-piperidin-2-yl]-1H-pyridin-4-one
CID 131163056
(2S)-2-(4-fluoro-2-methylphenyl)piperidine
CID 55278633
2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474
2-(2-methyl-4-methylsulfinylphenyl)azepane
CID 163719044
2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366
2-(5-bromo-4-chloro-2-methylphenyl)piperidine
CID 84814511
2-fluoro-4-methyl-5-piperidin-2-ylphenol
CID 84780709

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4,5-dimethylfuran-2-yl)piperidine;hydrochloride?
The IUPAC name of (2R)-2-(4,5-dimethylfuran-2-yl)piperidine;hydrochloride (CID 171195696) is (2R)-2-(4,5-dimethylfuran-2-yl)piperidine;hydrochloride.
What is the SMILES notation for (2R)-2-(4,5-dimethylfuran-2-yl)piperidine;hydrochloride?
The canonical SMILES for (2R)-2-(4,5-dimethylfuran-2-yl)piperidine;hydrochloride is Cc1cc([C@H]2CCCCN2)oc1C.Cl.
What is the InChIKey of (2R)-2-(4,5-dimethylfuran-2-yl)piperidine;hydrochloride?
The InChIKey is KFBALKUYLPIHQH-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-8-7-11(13-9(8)2)10-5-3-4-6-12-10;/h7,10,12H,3-6H2,1-2H3;1H/t10-;/m1./s1.
What are the key properties of (2R)-2-(4,5-dimethylfuran-2-yl)piperidine;hydrochloride?
(2R)-2-(4,5-dimethylfuran-2-yl)piperidine;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4,5-dimethylfuran-2-yl)piperidine;hydrochloride is sourced from PubChem (CID 171195696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).