(2-methyl-2-adamantyl) piperidine-1-carboxylate

C17H27NO2 — CID 67890582

IUPAC(2-methyl-2-adamantyl) piperidine-1-carboxylate
SMILESCC1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H27NO2/c1-17(20-16(19)18-5-3-2-4-6-18)14-8-12-7-13(10-14)11-15(17)9-12/h12-15H,2-11H2,1H3
InChIKeyBRROUNBNUKSVTF-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.82
Rot. Bonds1

About (2-methyl-2-adamantyl) piperidine-1-carboxylate

(2-methyl-2-adamantyl) piperidine-1-carboxylate (PubChem CID 67890582) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2-methyl-2-adamantyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-2-adamantyl) piperidine-1-carboxylate
PubChem CID67890582
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2-methyl-2-adamantyl) piperidine-1-carboxylate
SMILESCC1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H27NO2/c1-17(20-16(19)18-5-3-2-4-6-18)14-8-12-7-13(10-14)11-15(17)9-12/h12-15H,2-11H2,1H3
InChIKeyBRROUNBNUKSVTF-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2-adamantyl) piperidine-1-carboxylate?
The IUPAC name of (2-methyl-2-adamantyl) piperidine-1-carboxylate (CID 67890582) is (2-methyl-2-adamantyl) piperidine-1-carboxylate.
What is the SMILES notation for (2-methyl-2-adamantyl) piperidine-1-carboxylate?
The canonical SMILES for (2-methyl-2-adamantyl) piperidine-1-carboxylate is CC1(OC(=O)N2CCCCC2)C2CC3CC(C2)CC1C3.
What is the InChIKey of (2-methyl-2-adamantyl) piperidine-1-carboxylate?
The InChIKey is BRROUNBNUKSVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-17(20-16(19)18-5-3-2-4-6-18)14-8-12-7-13(10-14)11-15(17)9-12/h12-15H,2-11H2,1H3.
What are the key properties of (2-methyl-2-adamantyl) piperidine-1-carboxylate?
(2-methyl-2-adamantyl) piperidine-1-carboxylate has a molecular weight of 277.41 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2-adamantyl) piperidine-1-carboxylate is sourced from PubChem (CID 67890582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).