(2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine

C11H17NO — CID 95566877

IUPAC(2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine
SMILESCc1ccc([C@H]2C[C@@H](C)CCN2)o1
InChIInChI=1S/C11H17NO/c1-8-5-6-12-10(7-8)11-4-3-9(2)13-11/h3-4,8,10,12H,5-7H2,1-2H3/t8-,10+/m0/s1
InChIKeyVSCIJPMQUFXFGX-WCBMZHEXSA-N
MW179.26 g/mol
LogP2.65
Rot. Bonds1

About (2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine

(2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine (PubChem CID 95566877) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine.

Molecular Properties

Compound Name(2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine
PubChem CID95566877
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine
SMILESCc1ccc([C@H]2C[C@@H](C)CCN2)o1
InChIInChI=1S/C11H17NO/c1-8-5-6-12-10(7-8)11-4-3-9(2)13-11/h3-4,8,10,12H,5-7H2,1-2H3/t8-,10+/m0/s1
InChIKeyVSCIJPMQUFXFGX-WCBMZHEXSA-N
XLogP2.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-3-(5-methylfuran-2-yl)-1,4-thiazepane
CID 66226039
(2S)-2-(5-methylfuran-2-yl)piperazine
CID 130737880
2-(5-methylfuran-2-yl)pyrrolidin-3-ol
CID 82413814
5-(5-methylfuran-2-yl)pyrrolidine-3-carboxylic acid
CID 112546391
4-[(2S,4R)-4-methylpiperidin-2-yl]phenol
CID 138627789
2-(3-fluoro-4-methylphenyl)-4-methylpiperidine
CID 115502554
2-(1,3-dimethylpyrazol-4-yl)-4-methylpiperidine
CID 130682300
(4R)-4-(5-methylfuran-2-yl)-1,3-oxazinan-2-one
CID 130804717
3-(5-methylfuran-2-yl)pyrrolidine
CID 62066693
2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylpiperidine
CID 114746819
2-(2-cyclobutylphenyl)-4-methylpiperidine
CID 114605954
5-methyl-2-(5-methylfuran-2-yl)-1,3-oxazinane
CID 117226705

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine?
The IUPAC name of (2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine (CID 95566877) is (2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine.
What is the SMILES notation for (2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine?
The canonical SMILES for (2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine is Cc1ccc([C@H]2C[C@@H](C)CCN2)o1.
What is the InChIKey of (2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine?
The InChIKey is VSCIJPMQUFXFGX-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-5-6-12-10(7-8)11-4-3-9(2)13-11/h3-4,8,10,12H,5-7H2,1-2H3/t8-,10+/m0/s1.
What are the key properties of (2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine?
(2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine has a molecular weight of 179.26 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidine is sourced from PubChem (CID 95566877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).