ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate

C15H28N2O5 — CID 56777653

IUPACethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(O)COCC2CCCO2)CC1
InChIInChI=1S/C15H28N2O5/c1-2-21-15(19)17-7-5-16(6-8-17)10-13(18)11-20-12-14-4-3-9-22-14/h13-14,18H,2-12H2,1H3
InChIKeyZBWAHTPERBCCLL-UHFFFAOYSA-N
MW316.40 g/mol
LogP0.32
Rot. Bonds7

About ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate

ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate (PubChem CID 56777653) has the molecular formula C15H28N2O5 and a molecular weight of 316.40 g/mol. Its IUPAC name is ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate
PubChem CID56777653
Molecular FormulaC15H28N2O5
Molecular Weight316.40 g/mol
Exact Mass316.20
IUPAC Nameethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(CC(O)COCC2CCCO2)CC1
InChIInChI=1S/C15H28N2O5/c1-2-21-15(19)17-7-5-16(6-8-17)10-13(18)11-20-12-14-4-3-9-22-14/h13-14,18H,2-12H2,1H3
InChIKeyZBWAHTPERBCCLL-UHFFFAOYSA-N
XLogP0.32
TPSA71.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-[4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazin-1-yl]acetamide
CID 55572604
(2S)-1-[4-[(2S)-2-hydroxy-3-[[(2R)-oxolan-2-yl]methoxy]propyl]piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 124823947
1-(4,4-dimethylazepan-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 111462766
1-(3-ethylpiperidin-1-yl)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 110888545
ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate
CID 54937670
1-[(3R,5S)-3,5-dimethylazepan-1-yl]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 146138021
ethyl 4-(2-hydroxy-3-morpholin-4-ylpropyl)piperazine-1-carboxylate
CID 56827922
(2R)-1-[[(2S)-oxolan-2-yl]methoxy]-3-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95156770
(2S)-1-[(2R)-2-[(dimethylamino)methyl]morpholin-4-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 129425639
(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[[(2R)-oxolan-2-yl]methoxy]propan-2-ol
CID 31263826
ethyl 4-[(2S)-2-hydroxy-3-[(1R,2S)-2-methylcyclopentyl]oxypropyl]piperazine-1-carboxylate
CID 29132274
4-[1-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperidin-4-yl]phenol
CID 78836914

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate (CID 56777653) is ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(CC(O)COCC2CCCO2)CC1.
What is the InChIKey of ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate?
The InChIKey is ZBWAHTPERBCCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O5/c1-2-21-15(19)17-7-5-16(6-8-17)10-13(18)11-20-12-14-4-3-9-22-14/h13-14,18H,2-12H2,1H3.
What are the key properties of ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate?
ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]piperazine-1-carboxylate is sourced from PubChem (CID 56777653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).