1,4-dimethyl-3-(4-methyloxan-3-yl)piperidine

C13H25NO — CID 123365609

IUPAC1,4-dimethyl-3-(4-methyloxan-3-yl)piperidine
SMILESCC1CCOCC1C1CN(C)CCC1C
InChIInChI=1S/C13H25NO/c1-10-4-6-14(3)8-12(10)13-9-15-7-5-11(13)2/h10-13H,4-9H2,1-3H3
InChIKeyFYLCCKJFVMWXOO-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.25
Rot. Bonds1

About 1,4-dimethyl-3-(4-methyloxan-3-yl)piperidine

1,4-dimethyl-3-(4-methyloxan-3-yl)piperidine (PubChem CID 123365609) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1,4-dimethyl-3-(4-methyloxan-3-yl)piperidine.

Molecular Properties

Compound Name1,4-dimethyl-3-(4-methyloxan-3-yl)piperidine
PubChem CID123365609
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1,4-dimethyl-3-(4-methyloxan-3-yl)piperidine
SMILESCC1CCOCC1C1CN(C)CCC1C
InChIInChI=1S/C13H25NO/c1-10-4-6-14(3)8-12(10)13-9-15-7-5-11(13)2/h10-13H,4-9H2,1-3H3
InChIKeyFYLCCKJFVMWXOO-UHFFFAOYSA-N
XLogP2.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-(4-methyloxan-3-yl)piperidine?
The IUPAC name of 1,4-dimethyl-3-(4-methyloxan-3-yl)piperidine (CID 123365609) is 1,4-dimethyl-3-(4-methyloxan-3-yl)piperidine.
What is the SMILES notation for 1,4-dimethyl-3-(4-methyloxan-3-yl)piperidine?
The canonical SMILES for 1,4-dimethyl-3-(4-methyloxan-3-yl)piperidine is CC1CCOCC1C1CN(C)CCC1C.
What is the InChIKey of 1,4-dimethyl-3-(4-methyloxan-3-yl)piperidine?
The InChIKey is FYLCCKJFVMWXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-4-6-14(3)8-12(10)13-9-15-7-5-11(13)2/h10-13H,4-9H2,1-3H3.
What are the key properties of 1,4-dimethyl-3-(4-methyloxan-3-yl)piperidine?
1,4-dimethyl-3-(4-methyloxan-3-yl)piperidine has a molecular weight of 211.35 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-(4-methyloxan-3-yl)piperidine is sourced from PubChem (CID 123365609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).