ethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate

C13H23NO3 — CID 123790231

IUPACethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C2CC2CCO)CC1
InChIInChI=1S/C13H23NO3/c1-2-17-13(16)14-6-3-10(4-7-14)12-9-11(12)5-8-15/h10-12,15H,2-9H2,1H3
InChIKeyAKZCELGMHDNASL-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.87
Rot. Bonds4

About ethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate

ethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate (PubChem CID 123790231) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate
PubChem CID123790231
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nameethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C2CC2CCO)CC1
InChIInChI=1S/C13H23NO3/c1-2-17-13(16)14-6-3-10(4-7-14)12-9-11(12)5-8-15/h10-12,15H,2-9H2,1H3
InChIKeyAKZCELGMHDNASL-UHFFFAOYSA-N
XLogP1.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylic acid
CID 66927001
2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethanol
CID 58128523
tert-butyl 4-[2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate
CID 58128555
ethyl 4-(4-hydroxybutyl)piperidine-1-carboxylate
CID 19748294
propan-2-yl 4-[2-[2-[(1-ethylsulfonylpiperidin-4-yl)methoxy]ethyl]cyclopropyl]piperidine-1-carboxylate
CID 123702585
ethyl 4-[(3-hydroxycyclohexyl)amino]piperidine-1-carboxylate
CID 43792246
diethyl (2R,3R)-3-(2-hydroxyethyl)pyrrolidine-1,2-dicarboxylate
CID 86743786
benzyl 4-[(1R,2S)-2-[2-(4-methylphenyl)sulfonyloxyethyl]cyclopropyl]piperidine-1-carboxylate
CID 89036885
ethyl azetidine-1-carboxylate
CID 14088501
tert-butyl 4-[(1R,2R)-2-formylcyclopropyl]piperidine-1-carboxylate;tert-butyl 4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]piperidine-1-carboxylate
CID 165067970
1-[4-[2-(chloromethyl)cyclopropyl]piperidin-1-yl]ethanone
CID 130138154
ethyl 4-[ethyl(methyl)amino]piperidine-1-carboxylate
CID 143591988

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate (CID 123790231) is ethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C2CC2CCO)CC1.
What is the InChIKey of ethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate?
The InChIKey is AKZCELGMHDNASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-17-13(16)14-6-3-10(4-7-14)12-9-11(12)5-8-15/h10-12,15H,2-9H2,1H3.
What are the key properties of ethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate?
ethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-hydroxyethyl)cyclopropyl]piperidine-1-carboxylate is sourced from PubChem (CID 123790231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).