ethyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate

C13H25NO3 — CID 60686908

IUPACethyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCOC(C)C)C1
InChIInChI=1S/C13H25NO3/c1-4-16-13(15)12-6-5-7-14(10-12)8-9-17-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyKGWQUOACLISVPJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.69
Rot. Bonds6

About ethyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate

ethyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate (PubChem CID 60686908) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate
PubChem CID60686908
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CCOC(C)C)C1
InChIInChI=1S/C13H25NO3/c1-4-16-13(15)12-6-5-7-14(10-12)8-9-17-11(2)3/h11-12H,4-10H2,1-3H3
InChIKeyKGWQUOACLISVPJ-UHFFFAOYSA-N
XLogP1.69
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate (CID 60686908) is ethyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(CCOC(C)C)C1.
What is the InChIKey of ethyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate?
The InChIKey is KGWQUOACLISVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-4-16-13(15)12-6-5-7-14(10-12)8-9-17-11(2)3/h11-12H,4-10H2,1-3H3.
What are the key properties of ethyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate?
ethyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate is sourced from PubChem (CID 60686908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).