1-(2,2-dimethyl-1-adamantyl)piperidine

C17H29N — CID 71459394

IUPAC1-(2,2-dimethyl-1-adamantyl)piperidine
SMILESCC1(C)C2CC3CC(C2)CC1(N1CCCCC1)C3
InChIInChI=1S/C17H29N/c1-16(2)15-9-13-8-14(10-15)12-17(16,11-13)18-6-4-3-5-7-18/h13-15H,3-12H2,1-2H3
InChIKeyORMSTPJKLLLGII-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.08
Rot. Bonds1

About 1-(2,2-dimethyl-1-adamantyl)piperidine

1-(2,2-dimethyl-1-adamantyl)piperidine (PubChem CID 71459394) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1-adamantyl)piperidine.

Molecular Properties

Compound Name1-(2,2-dimethyl-1-adamantyl)piperidine
PubChem CID71459394
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name1-(2,2-dimethyl-1-adamantyl)piperidine
SMILESCC1(C)C2CC3CC(C2)CC1(N1CCCCC1)C3
InChIInChI=1S/C17H29N/c1-16(2)15-9-13-8-14(10-15)12-17(16,11-13)18-6-4-3-5-7-18/h13-15H,3-12H2,1-2H3
InChIKeyORMSTPJKLLLGII-UHFFFAOYSA-N
XLogP4.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1-adamantyl)piperidine?
The IUPAC name of 1-(2,2-dimethyl-1-adamantyl)piperidine (CID 71459394) is 1-(2,2-dimethyl-1-adamantyl)piperidine.
What is the SMILES notation for 1-(2,2-dimethyl-1-adamantyl)piperidine?
The canonical SMILES for 1-(2,2-dimethyl-1-adamantyl)piperidine is CC1(C)C2CC3CC(C2)CC1(N1CCCCC1)C3.
What is the InChIKey of 1-(2,2-dimethyl-1-adamantyl)piperidine?
The InChIKey is ORMSTPJKLLLGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-16(2)15-9-13-8-14(10-15)12-17(16,11-13)18-6-4-3-5-7-18/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-(2,2-dimethyl-1-adamantyl)piperidine?
1-(2,2-dimethyl-1-adamantyl)piperidine has a molecular weight of 247.43 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1-adamantyl)piperidine is sourced from PubChem (CID 71459394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).