(2R,5R)-5-ethyl-2-methyl-1-pyrrolidin-3-ylpiperidine

C12H24N2 — CID 164659512

IUPAC(2R,5R)-5-ethyl-2-methyl-1-pyrrolidin-3-ylpiperidine
SMILESCC[C@@H]1CC[C@@H](C)N(C2CCNC2)C1
InChIInChI=1S/C12H24N2/c1-3-11-5-4-10(2)14(9-11)12-6-7-13-8-12/h10-13H,3-9H2,1-2H3/t10-,11-,12?/m1/s1
InChIKeyWGHTUJVSYDVMIP-XFKKCKKNSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds2

About (2R,5R)-5-ethyl-2-methyl-1-pyrrolidin-3-ylpiperidine

(2R,5R)-5-ethyl-2-methyl-1-pyrrolidin-3-ylpiperidine (PubChem CID 164659512) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (2R,5R)-5-ethyl-2-methyl-1-pyrrolidin-3-ylpiperidine.

Molecular Properties

Compound Name(2R,5R)-5-ethyl-2-methyl-1-pyrrolidin-3-ylpiperidine
PubChem CID164659512
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(2R,5R)-5-ethyl-2-methyl-1-pyrrolidin-3-ylpiperidine
SMILESCC[C@@H]1CC[C@@H](C)N(C2CCNC2)C1
InChIInChI=1S/C12H24N2/c1-3-11-5-4-10(2)14(9-11)12-6-7-13-8-12/h10-13H,3-9H2,1-2H3/t10-,11-,12?/m1/s1
InChIKeyWGHTUJVSYDVMIP-XFKKCKKNSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S,5R)-5-ethyl-2-methylpiperidin-1-yl]cyclobutan-1-amine
CID 130663186
6-methyl-1-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 62327751
(2S)-2-methyl-1-pyrrolidin-3-ylpyrrolidine
CID 59401779
(2S)-2-methyl-1-[(3R)-pyrrolidin-3-yl]pyrrolidine;dihydrochloride
CID 67423613
4-ethyl-1-pyrrolidin-3-ylpiperidine
CID 62328798
2-ethyl-1-pyrrolidin-3-ylpyrrolidine
CID 58468068
ethane;3-ethylpyrrolidine
CID 143803201
(4-methyl-1-pyrrolidin-3-ylpiperazin-2-yl)methanol
CID 83819174
1-(azetidin-2-ylmethyl)-5-ethyl-2-methylpiperidine
CID 130815946
3-ethyl-1-piperidin-4-ylpiperidine;hydrochloride
CID 176957509
2-ethyl-5-methyl-1-[[(3S)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 164655269
ethane;3-ethylpyrrolidine;molecular hydrogen
CID 143963843

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-ethyl-2-methyl-1-pyrrolidin-3-ylpiperidine?
The IUPAC name of (2R,5R)-5-ethyl-2-methyl-1-pyrrolidin-3-ylpiperidine (CID 164659512) is (2R,5R)-5-ethyl-2-methyl-1-pyrrolidin-3-ylpiperidine.
What is the SMILES notation for (2R,5R)-5-ethyl-2-methyl-1-pyrrolidin-3-ylpiperidine?
The canonical SMILES for (2R,5R)-5-ethyl-2-methyl-1-pyrrolidin-3-ylpiperidine is CC[C@@H]1CC[C@@H](C)N(C2CCNC2)C1.
What is the InChIKey of (2R,5R)-5-ethyl-2-methyl-1-pyrrolidin-3-ylpiperidine?
The InChIKey is WGHTUJVSYDVMIP-XFKKCKKNSA-N. The full InChI is InChI=1S/C12H24N2/c1-3-11-5-4-10(2)14(9-11)12-6-7-13-8-12/h10-13H,3-9H2,1-2H3/t10-,11-,12?/m1/s1.
What are the key properties of (2R,5R)-5-ethyl-2-methyl-1-pyrrolidin-3-ylpiperidine?
(2R,5R)-5-ethyl-2-methyl-1-pyrrolidin-3-ylpiperidine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-ethyl-2-methyl-1-pyrrolidin-3-ylpiperidine is sourced from PubChem (CID 164659512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).