(2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine

C12H23NO — CID 95566939

IUPAC(2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine
SMILESCC[C@H]1CC[C@H]([C@@H]2C[C@H](C)CCN2)O1
InChIInChI=1S/C12H23NO/c1-3-10-4-5-12(14-10)11-8-9(2)6-7-13-11/h9-13H,3-8H2,1-2H3/t9-,10+,11+,12-/m1/s1
InChIKeyGTLJHHFINAEDLJ-NOOOWODRSA-N
MW197.32 g/mol
LogP2.33
Rot. Bonds2

About (2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine

(2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine (PubChem CID 95566939) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine.

Molecular Properties

Compound Name(2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine
PubChem CID95566939
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine
SMILESCC[C@H]1CC[C@H]([C@@H]2C[C@H](C)CCN2)O1
InChIInChI=1S/C12H23NO/c1-3-10-4-5-12(14-10)11-8-9(2)6-7-13-11/h9-13H,3-8H2,1-2H3/t9-,10+,11+,12-/m1/s1
InChIKeyGTLJHHFINAEDLJ-NOOOWODRSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4R)-2-[(2R,5R)-5-ethyloxolan-2-yl]-4-methylpiperidine
CID 124709099
(2R,4S)-2-[(2R,5R)-5-ethyloxolan-2-yl]-4-methylpiperidine
CID 124526522
(3aR,7aR)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine
CID 154970415
(3aS,7aS)-2-ethyl-2,3,3a,4,5,6,7,7a-octahydrofuro[3,2-b]pyridine
CID 154970470
4-methyl-2-(oxolan-2-yl)piperidine
CID 130533417
2-cyclopropyl-5-ethyloxolane
CID 170980381
7-methyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b][1,4]oxazepine
CID 43498454
ethane;2-ethyl-4-methylpiperidine
CID 142379207
(4R)-2,4-dimethylpiperidine
CID 144551274
(4aS,6R,8aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 129360669
(4S,4aS,8aS)-4,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
CID 102173535
(3aR,5R,7aR)-5-[(1-methylpiperidin-4-yl)methoxymethyl]-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
CID 124547983

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine?
The IUPAC name of (2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine (CID 95566939) is (2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine.
What is the SMILES notation for (2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine?
The canonical SMILES for (2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine is CC[C@H]1CC[C@H]([C@@H]2C[C@H](C)CCN2)O1.
What is the InChIKey of (2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine?
The InChIKey is GTLJHHFINAEDLJ-NOOOWODRSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-10-4-5-12(14-10)11-8-9(2)6-7-13-11/h9-13H,3-8H2,1-2H3/t9-,10+,11+,12-/m1/s1.
What are the key properties of (2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine?
(2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine has a molecular weight of 197.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[(2R,5S)-5-ethyloxolan-2-yl]-4-methylpiperidine is sourced from PubChem (CID 95566939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).