(2-ethyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate

C15H25NO2 — CID 170530200

IUPAC(2-ethyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate
SMILESCCC1(OC(=O)N2CCCCC2)CC2CCC1C2
InChIInChI=1S/C15H25NO2/c1-2-15(11-12-6-7-13(15)10-12)18-14(17)16-8-4-3-5-9-16/h12-13H,2-11H2,1H3
InChIKeyOPWYBPCWPDPSSG-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.58
Rot. Bonds2

About (2-ethyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate

(2-ethyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate (PubChem CID 170530200) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (2-ethyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-ethyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate
PubChem CID170530200
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(2-ethyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate
SMILESCCC1(OC(=O)N2CCCCC2)CC2CCC1C2
InChIInChI=1S/C15H25NO2/c1-2-15(11-12-6-7-13(15)10-12)18-14(17)16-8-4-3-5-9-16/h12-13H,2-11H2,1H3
InChIKeyOPWYBPCWPDPSSG-UHFFFAOYSA-N
XLogP3.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate?
The IUPAC name of (2-ethyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate (CID 170530200) is (2-ethyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate.
What is the SMILES notation for (2-ethyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate?
The canonical SMILES for (2-ethyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate is CCC1(OC(=O)N2CCCCC2)CC2CCC1C2.
What is the InChIKey of (2-ethyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate?
The InChIKey is OPWYBPCWPDPSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-2-15(11-12-6-7-13(15)10-12)18-14(17)16-8-4-3-5-9-16/h12-13H,2-11H2,1H3.
What are the key properties of (2-ethyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate?
(2-ethyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate has a molecular weight of 251.37 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate is sourced from PubChem (CID 170530200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).