1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate

C13H25NO4 — CID 59049625

IUPAC1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate
SMILESCCOCC(COCC)OC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C13H25NO4/c1-3-16-9-11(10-17-4-2)18-13(15)12-7-5-6-8-14-12/h11-12,14H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyYXPBNKZUSXKWIV-LBPRGKRZSA-N
MW259.35 g/mol
LogP1.11
Rot. Bonds8

About 1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate

1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate (PubChem CID 59049625) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate.

Molecular Properties

Compound Name1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate
PubChem CID59049625
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate
SMILESCCOCC(COCC)OC(=O)[C@@H]1CCCCN1
InChIInChI=1S/C13H25NO4/c1-3-16-9-11(10-17-4-2)18-13(15)12-7-5-6-8-14-12/h11-12,14H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyYXPBNKZUSXKWIV-LBPRGKRZSA-N
XLogP1.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethoxypropan-2-yl (2S)-pyrrolidine-2-carboxylate
CID 103489156
tetradecan-7-yl piperidine-2-carboxylate
CID 167096260
propan-2-yl (2R)-piperidine-2-carboxylate
CID 10197895
2-ethoxyethyl piperidine-2-carboxylate
CID 61278011
pentan-2-yl piperidine-2-carboxylate
CID 102982469
pentan-2-yl azepane-2-carboxylate
CID 102982576
butyl (2S)-piperidine-2-carboxylate
CID 54130362
propyl piperidine-2-carboxylate
CID 43248024
N-(2-ethoxyethyl)piperidine-2-carboxamide;hydrochloride
CID 119280657
octyl (2R)-piperidine-2-carboxylate
CID 11096763
N-(3-ethoxypropyl)azepane-2-carboxamide
CID 64562798
N-(3-ethoxypropyl)azocane-2-carboxamide
CID 114240040

Frequently Asked Questions

What is the IUPAC name of 1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate?
The IUPAC name of 1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate (CID 59049625) is 1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate.
What is the SMILES notation for 1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate?
The canonical SMILES for 1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate is CCOCC(COCC)OC(=O)[C@@H]1CCCCN1.
What is the InChIKey of 1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate?
The InChIKey is YXPBNKZUSXKWIV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25NO4/c1-3-16-9-11(10-17-4-2)18-13(15)12-7-5-6-8-14-12/h11-12,14H,3-10H2,1-2H3/t12-/m0/s1.
What are the key properties of 1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate?
1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate has a molecular weight of 259.35 g/mol, XLogP of 1.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethoxypropan-2-yl (2S)-piperidine-2-carboxylate is sourced from PubChem (CID 59049625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).