1-adamantyl piperidine-1-carboxylate

C16H25NO2 — CID 59148772

IUPAC1-adamantyl piperidine-1-carboxylate
SMILESO=C(OC12CC3CC(CC(C3)C1)C2)N1CCCCC1
InChIInChI=1S/C16H25NO2/c18-15(17-4-2-1-3-5-17)19-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2
InChIKeyKUSUCYSOHPQSGI-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.58
Rot. Bonds1

About 1-adamantyl piperidine-1-carboxylate

1-adamantyl piperidine-1-carboxylate (PubChem CID 59148772) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-adamantyl piperidine-1-carboxylate.

Molecular Properties

Compound Name1-adamantyl piperidine-1-carboxylate
PubChem CID59148772
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-adamantyl piperidine-1-carboxylate
SMILESO=C(OC12CC3CC(CC(C3)C1)C2)N1CCCCC1
InChIInChI=1S/C16H25NO2/c18-15(17-4-2-1-3-5-17)19-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2
InChIKeyKUSUCYSOHPQSGI-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl piperidine-1-carboxylate?
The IUPAC name of 1-adamantyl piperidine-1-carboxylate (CID 59148772) is 1-adamantyl piperidine-1-carboxylate.
What is the SMILES notation for 1-adamantyl piperidine-1-carboxylate?
The canonical SMILES for 1-adamantyl piperidine-1-carboxylate is O=C(OC12CC3CC(CC(C3)C1)C2)N1CCCCC1.
What is the InChIKey of 1-adamantyl piperidine-1-carboxylate?
The InChIKey is KUSUCYSOHPQSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c18-15(17-4-2-1-3-5-17)19-16-9-12-6-13(10-16)8-14(7-12)11-16/h12-14H,1-11H2.
What are the key properties of 1-adamantyl piperidine-1-carboxylate?
1-adamantyl piperidine-1-carboxylate has a molecular weight of 263.38 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl piperidine-1-carboxylate is sourced from PubChem (CID 59148772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).