2,2-dimethyl-4-(oxan-4-yl)piperidine

C12H23NO — CID 117258197

IUPAC2,2-dimethyl-4-(oxan-4-yl)piperidine
SMILESCC1(C)CC(C2CCOCC2)CCN1
InChIInChI=1S/C12H23NO/c1-12(2)9-11(3-6-13-12)10-4-7-14-8-5-10/h10-11,13H,3-9H2,1-2H3
InChIKeyNZMKHXAQGOMPSF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds1

About 2,2-dimethyl-4-(oxan-4-yl)piperidine

2,2-dimethyl-4-(oxan-4-yl)piperidine (PubChem CID 117258197) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2,2-dimethyl-4-(oxan-4-yl)piperidine.

Molecular Properties

Compound Name2,2-dimethyl-4-(oxan-4-yl)piperidine
PubChem CID117258197
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2,2-dimethyl-4-(oxan-4-yl)piperidine
SMILESCC1(C)CC(C2CCOCC2)CCN1
InChIInChI=1S/C12H23NO/c1-12(2)9-11(3-6-13-12)10-4-7-14-8-5-10/h10-11,13H,3-9H2,1-2H3
InChIKeyNZMKHXAQGOMPSF-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(oxan-4-yl)piperidine?
The IUPAC name of 2,2-dimethyl-4-(oxan-4-yl)piperidine (CID 117258197) is 2,2-dimethyl-4-(oxan-4-yl)piperidine.
What is the SMILES notation for 2,2-dimethyl-4-(oxan-4-yl)piperidine?
The canonical SMILES for 2,2-dimethyl-4-(oxan-4-yl)piperidine is CC1(C)CC(C2CCOCC2)CCN1.
What is the InChIKey of 2,2-dimethyl-4-(oxan-4-yl)piperidine?
The InChIKey is NZMKHXAQGOMPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2)9-11(3-6-13-12)10-4-7-14-8-5-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-4-(oxan-4-yl)piperidine?
2,2-dimethyl-4-(oxan-4-yl)piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(oxan-4-yl)piperidine is sourced from PubChem (CID 117258197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).