ethyl 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidine-1-carboxylate

C15H26N2O3 — CID 138378542

IUPACethyl 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCCC2C2(O)CC2)CC1
InChIInChI=1S/C15H26N2O3/c1-2-20-14(18)16-10-5-12(6-11-16)17-9-3-4-13(17)15(19)7-8-15/h12-13,19H,2-11H2,1H3
InChIKeyJKEKHRSQUOTZLK-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.60
Rot. Bonds3

About ethyl 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidine-1-carboxylate

ethyl 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidine-1-carboxylate (PubChem CID 138378542) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is ethyl 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidine-1-carboxylate
PubChem CID138378542
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nameethyl 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CCCC2C2(O)CC2)CC1
InChIInChI=1S/C15H26N2O3/c1-2-20-14(18)16-10-5-12(6-11-16)17-9-3-4-13(17)15(19)7-8-15/h12-13,19H,2-11H2,1H3
InChIKeyJKEKHRSQUOTZLK-UHFFFAOYSA-N
XLogP1.60
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidine-1-carboxylate (CID 138378542) is ethyl 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CCCC2C2(O)CC2)CC1.
What is the InChIKey of ethyl 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidine-1-carboxylate?
The InChIKey is JKEKHRSQUOTZLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-2-20-14(18)16-10-5-12(6-11-16)17-9-3-4-13(17)15(19)7-8-15/h12-13,19H,2-11H2,1H3.
What are the key properties of ethyl 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidine-1-carboxylate has a molecular weight of 282.38 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 138378542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).