ethyl (2R,4R)-2-(2-methylpropyl)piperidine-4-carboxylate

C12H23NO2 — CID 165145297

IUPACethyl (2R,4R)-2-(2-methylpropyl)piperidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1CCN[C@H](CC(C)C)C1
InChIInChI=1S/C12H23NO2/c1-4-15-12(14)10-5-6-13-11(8-10)7-9(2)3/h9-11,13H,4-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyRXGOWOXJCCISDV-GHMZBOCLSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds4

About ethyl (2R,4R)-2-(2-methylpropyl)piperidine-4-carboxylate

ethyl (2R,4R)-2-(2-methylpropyl)piperidine-4-carboxylate (PubChem CID 165145297) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl (2R,4R)-2-(2-methylpropyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl (2R,4R)-2-(2-methylpropyl)piperidine-4-carboxylate
PubChem CID165145297
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl (2R,4R)-2-(2-methylpropyl)piperidine-4-carboxylate
SMILESCCOC(=O)[C@@H]1CCN[C@H](CC(C)C)C1
InChIInChI=1S/C12H23NO2/c1-4-15-12(14)10-5-6-13-11(8-10)7-9(2)3/h9-11,13H,4-8H2,1-3H3/t10-,11-/m1/s1
InChIKeyRXGOWOXJCCISDV-GHMZBOCLSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl (2R,4S)-piperidine-2,4-dicarboxylate
CID 95970372
ethyl 4-(2-methylpropyl)cyclohexane-1-carboxylate
CID 148815962
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159
trans-ethyl (1S,3S)-3-ethoxycyclopentane-1-carboxylate
CID 125113083
ethyl 3,4-dihydroxycyclohexane-1-carboxylate
CID 134861534
trans-ethyl (1R,3R)-3-ethoxycyclopentane-1-carboxylate
CID 125113084
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454
diethyl (4R,4aR,6R,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4,6-dicarboxylate
CID 125492924
cis-ethyl (1R,3S)-3-formylcyclopentane-1-carboxylate
CID 10583280
2-methylpentyl 2-methylpiperidine-4-carboxylate
CID 106743825
ethyl 2-azabicyclo[3.1.0]hexane-6-carboxylate
CID 130736595
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4R)-2-(2-methylpropyl)piperidine-4-carboxylate?
The IUPAC name of ethyl (2R,4R)-2-(2-methylpropyl)piperidine-4-carboxylate (CID 165145297) is ethyl (2R,4R)-2-(2-methylpropyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl (2R,4R)-2-(2-methylpropyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl (2R,4R)-2-(2-methylpropyl)piperidine-4-carboxylate is CCOC(=O)[C@@H]1CCN[C@H](CC(C)C)C1.
What is the InChIKey of ethyl (2R,4R)-2-(2-methylpropyl)piperidine-4-carboxylate?
The InChIKey is RXGOWOXJCCISDV-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-15-12(14)10-5-6-13-11(8-10)7-9(2)3/h9-11,13H,4-8H2,1-3H3/t10-,11-/m1/s1.
What are the key properties of ethyl (2R,4R)-2-(2-methylpropyl)piperidine-4-carboxylate?
ethyl (2R,4R)-2-(2-methylpropyl)piperidine-4-carboxylate has a molecular weight of 213.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4R)-2-(2-methylpropyl)piperidine-4-carboxylate is sourced from PubChem (CID 165145297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).