ethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate

C12H23NO4 — CID 131871757

IUPACethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@H](OCC)C[C@H]1OCC
InChIInChI=1S/C12H23NO4/c1-4-15-10-7-8-13(12(14)17-6-3)11(9-10)16-5-2/h10-11H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyNYTVPLDURRGVRY-WDEREUQCSA-N
MW245.32 g/mol
LogP2.01
Rot. Bonds5

About ethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate

ethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate (PubChem CID 131871757) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate
PubChem CID131871757
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nameethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@H](OCC)C[C@H]1OCC
InChIInChI=1S/C12H23NO4/c1-4-15-10-7-8-13(12(14)17-6-3)11(9-10)16-5-2/h10-11H,4-9H2,1-3H3/t10-,11+/m0/s1
InChIKeyNYTVPLDURRGVRY-WDEREUQCSA-N
XLogP2.01
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-ethoxypyrrolidine-1-carboxylate
CID 10976224
ethyl (2S)-2-ethoxypiperidine-1-carboxylate
CID 92983244
trans-ethyl (1S,3S)-3-ethoxycyclopentane-1-carboxylate
CID 125113083
trans-ethyl (1R,3R)-3-ethoxycyclopentane-1-carboxylate
CID 125113084
ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
CID 112554499
ethyl 4-(4-ethoxypiperidin-1-yl)-4-oxobutanoate
CID 61150674
1-ethoxycarbonyl-3-hydroxypyrrolidine-2-carboxylic acid
CID 131424901
ethyl 2-(2-bromoacetyl)-4-ethylpiperidine-1-carboxylate
CID 114432080
tert-butyl 2-ethoxypyrrolidine-1-carboxylate
CID 11171930
1-(4-ethoxypiperidin-1-yl)propan-1-one
CID 53016317
(3-ethoxycyclopentyl) 2-methylbutanoate
CID 168840248
ethyl (2R)-2-methylaziridine-1-carboxylate
CID 129364107

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate?
The IUPAC name of ethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate (CID 131871757) is ethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate?
The canonical SMILES for ethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate is CCOC(=O)N1CC[C@H](OCC)C[C@H]1OCC.
What is the InChIKey of ethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate?
The InChIKey is NYTVPLDURRGVRY-WDEREUQCSA-N. The full InChI is InChI=1S/C12H23NO4/c1-4-15-10-7-8-13(12(14)17-6-3)11(9-10)16-5-2/h10-11H,4-9H2,1-3H3/t10-,11+/m0/s1.
What are the key properties of ethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate?
ethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate has a molecular weight of 245.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4S)-2,4-diethoxypiperidine-1-carboxylate is sourced from PubChem (CID 131871757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).