ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate

C12H22N2O4 — CID 60899589

IUPACethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2COCC2O)CC1
InChIInChI=1S/C12H22N2O4/c1-2-18-12(16)14-5-3-9(4-6-14)13-10-7-17-8-11(10)15/h9-11,13,15H,2-8H2,1H3
InChIKeyDVZQMNSTWRVKGN-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.04
Rot. Bonds3

About ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate

ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate (PubChem CID 60899589) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate
PubChem CID60899589
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nameethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC2COCC2O)CC1
InChIInChI=1S/C12H22N2O4/c1-2-18-12(16)14-5-3-9(4-6-14)13-10-7-17-8-11(10)15/h9-11,13,15H,2-8H2,1H3
InChIKeyDVZQMNSTWRVKGN-UHFFFAOYSA-N
XLogP-0.04
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate
CID 43792246
ethyl 4-[(2-methylsulfonylcyclopentyl)amino]piperidine-1-carboxylate
CID 65046809
ethyl 4-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)piperidine-1-carboxylate
CID 43792537
ethyl 4-[(4-carbamoylcyclohexyl)amino]piperidine-1-carboxylate
CID 43791646
ethyl 4-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
CID 112554499
ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 75519126
ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate
CID 84593584
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-(2,2-dimethylhydrazinyl)piperidine-1-carboxylate
CID 83003000
ethyl 4-(9H-fluoren-9-ylamino)piperidine-1-carboxylate
CID 40515300
2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate
CID 99851619

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate (CID 60899589) is ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC2COCC2O)CC1.
What is the InChIKey of ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate?
The InChIKey is DVZQMNSTWRVKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-2-18-12(16)14-5-3-9(4-6-14)13-10-7-17-8-11(10)15/h9-11,13,15H,2-8H2,1H3.
What are the key properties of ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate has a molecular weight of 258.32 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 60899589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).