2-adamantyl piperidine-1-carboxylate

C16H25NO2 — CID 52945668

IUPAC2-adamantyl piperidine-1-carboxylate
SMILESO=C(OC1C2CC3CC(C2)CC1C3)N1CCCCC1
InChIInChI=1S/C16H25NO2/c18-16(17-4-2-1-3-5-17)19-15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,1-10H2
InChIKeyVAQVMFMOXWTAGF-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.43
Rot. Bonds1

About 2-adamantyl piperidine-1-carboxylate

2-adamantyl piperidine-1-carboxylate (PubChem CID 52945668) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-adamantyl piperidine-1-carboxylate.

Molecular Properties

Compound Name2-adamantyl piperidine-1-carboxylate
PubChem CID52945668
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-adamantyl piperidine-1-carboxylate
SMILESO=C(OC1C2CC3CC(C2)CC1C3)N1CCCCC1
InChIInChI=1S/C16H25NO2/c18-16(17-4-2-1-3-5-17)19-15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,1-10H2
InChIKeyVAQVMFMOXWTAGF-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl piperidine-1-carboxylate?
The IUPAC name of 2-adamantyl piperidine-1-carboxylate (CID 52945668) is 2-adamantyl piperidine-1-carboxylate.
What is the SMILES notation for 2-adamantyl piperidine-1-carboxylate?
The canonical SMILES for 2-adamantyl piperidine-1-carboxylate is O=C(OC1C2CC3CC(C2)CC1C3)N1CCCCC1.
What is the InChIKey of 2-adamantyl piperidine-1-carboxylate?
The InChIKey is VAQVMFMOXWTAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c18-16(17-4-2-1-3-5-17)19-15-13-7-11-6-12(9-13)10-14(15)8-11/h11-15H,1-10H2.
What are the key properties of 2-adamantyl piperidine-1-carboxylate?
2-adamantyl piperidine-1-carboxylate has a molecular weight of 263.38 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl piperidine-1-carboxylate is sourced from PubChem (CID 52945668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).