4-(4-methyloxan-4-yl)piperidine

C11H21NO — CID 83906763

IUPAC4-(4-methyloxan-4-yl)piperidine
SMILESCC1(C2CCNCC2)CCOCC1
InChIInChI=1S/C11H21NO/c1-11(4-8-13-9-5-11)10-2-6-12-7-3-10/h10,12H,2-9H2,1H3
InChIKeyHKTYABQURDBQCQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds1

About 4-(4-methyloxan-4-yl)piperidine

4-(4-methyloxan-4-yl)piperidine (PubChem CID 83906763) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4-(4-methyloxan-4-yl)piperidine.

Molecular Properties

Compound Name4-(4-methyloxan-4-yl)piperidine
PubChem CID83906763
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4-(4-methyloxan-4-yl)piperidine
SMILESCC1(C2CCNCC2)CCOCC1
InChIInChI=1S/C11H21NO/c1-11(4-8-13-9-5-11)10-2-6-12-7-3-10/h10,12H,2-9H2,1H3
InChIKeyHKTYABQURDBQCQ-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyloxan-4-yl)piperidine?
The IUPAC name of 4-(4-methyloxan-4-yl)piperidine (CID 83906763) is 4-(4-methyloxan-4-yl)piperidine.
What is the SMILES notation for 4-(4-methyloxan-4-yl)piperidine?
The canonical SMILES for 4-(4-methyloxan-4-yl)piperidine is CC1(C2CCNCC2)CCOCC1.
What is the InChIKey of 4-(4-methyloxan-4-yl)piperidine?
The InChIKey is HKTYABQURDBQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(4-8-13-9-5-11)10-2-6-12-7-3-10/h10,12H,2-9H2,1H3.
What are the key properties of 4-(4-methyloxan-4-yl)piperidine?
4-(4-methyloxan-4-yl)piperidine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyloxan-4-yl)piperidine is sourced from PubChem (CID 83906763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).