2-(1-adamantyl)propan-2-yl piperidine-1-carboxylate

C19H31NO2 — CID 89457697

IUPAC2-(1-adamantyl)propan-2-yl piperidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31NO2/c1-18(2,22-17(21)20-6-4-3-5-7-20)19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,3-13H2,1-2H3
InChIKeyRZSDUVJOXBZSLI-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.60
Rot. Bonds2

About 2-(1-adamantyl)propan-2-yl piperidine-1-carboxylate

2-(1-adamantyl)propan-2-yl piperidine-1-carboxylate (PubChem CID 89457697) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 2-(1-adamantyl)propan-2-yl piperidine-1-carboxylate.

Molecular Properties

Compound Name2-(1-adamantyl)propan-2-yl piperidine-1-carboxylate
PubChem CID89457697
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name2-(1-adamantyl)propan-2-yl piperidine-1-carboxylate
SMILESCC(C)(OC(=O)N1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H31NO2/c1-18(2,22-17(21)20-6-4-3-5-7-20)19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,3-13H2,1-2H3
InChIKeyRZSDUVJOXBZSLI-UHFFFAOYSA-N
XLogP4.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)propan-2-yl piperidine-1-carboxylate?
The IUPAC name of 2-(1-adamantyl)propan-2-yl piperidine-1-carboxylate (CID 89457697) is 2-(1-adamantyl)propan-2-yl piperidine-1-carboxylate.
What is the SMILES notation for 2-(1-adamantyl)propan-2-yl piperidine-1-carboxylate?
The canonical SMILES for 2-(1-adamantyl)propan-2-yl piperidine-1-carboxylate is CC(C)(OC(=O)N1CCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)propan-2-yl piperidine-1-carboxylate?
The InChIKey is RZSDUVJOXBZSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-18(2,22-17(21)20-6-4-3-5-7-20)19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-(1-adamantyl)propan-2-yl piperidine-1-carboxylate?
2-(1-adamantyl)propan-2-yl piperidine-1-carboxylate has a molecular weight of 305.46 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)propan-2-yl piperidine-1-carboxylate is sourced from PubChem (CID 89457697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).