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

C14H23NO2 — CID 170530131

IUPAC(2-methyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate
SMILESCC1(OC(=O)N2CCCCC2)CC2CCC1C2
InChIInChI=1S/C14H23NO2/c1-14(10-11-5-6-12(14)9-11)17-13(16)15-7-3-2-4-8-15/h11-12H,2-10H2,1H3
InChIKeyAIWTULJPYBMJPL-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.19
Rot. Bonds1

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

(2-methyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate (PubChem CID 170530131) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (2-methyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate
PubChem CID170530131
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(2-methyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate
SMILESCC1(OC(=O)N2CCCCC2)CC2CCC1C2
InChIInChI=1S/C14H23NO2/c1-14(10-11-5-6-12(14)9-11)17-13(16)15-7-3-2-4-8-15/h11-12H,2-10H2,1H3
InChIKeyAIWTULJPYBMJPL-UHFFFAOYSA-N
XLogP3.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate?
The IUPAC name of (2-methyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate (CID 170530131) is (2-methyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate.
What is the SMILES notation for (2-methyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate?
The canonical SMILES for (2-methyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate is CC1(OC(=O)N2CCCCC2)CC2CCC1C2.
What is the InChIKey of (2-methyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate?
The InChIKey is AIWTULJPYBMJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-14(10-11-5-6-12(14)9-11)17-13(16)15-7-3-2-4-8-15/h11-12H,2-10H2,1H3.
What are the key properties of (2-methyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate?
(2-methyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate has a molecular weight of 237.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-bicyclo[2.2.1]heptanyl) piperidine-1-carboxylate is sourced from PubChem (CID 170530131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).