1,4-dimethyl-3-[4-methyl-6-(2-methylpropyl)oxan-3-yl]piperidine

C17H33NO — CID 123266417

IUPAC1,4-dimethyl-3-[4-methyl-6-(2-methylpropyl)oxan-3-yl]piperidine
SMILESCC(C)CC1CC(C)C(C2CN(C)CCC2C)CO1
InChIInChI=1S/C17H33NO/c1-12(2)8-15-9-14(4)17(11-19-15)16-10-18(5)7-6-13(16)3/h12-17H,6-11H2,1-5H3
InChIKeyOZJDCSCBILJPHY-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.66
Rot. Bonds3

About 1,4-dimethyl-3-[4-methyl-6-(2-methylpropyl)oxan-3-yl]piperidine

1,4-dimethyl-3-[4-methyl-6-(2-methylpropyl)oxan-3-yl]piperidine (PubChem CID 123266417) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1,4-dimethyl-3-[4-methyl-6-(2-methylpropyl)oxan-3-yl]piperidine.

Molecular Properties

Compound Name1,4-dimethyl-3-[4-methyl-6-(2-methylpropyl)oxan-3-yl]piperidine
PubChem CID123266417
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1,4-dimethyl-3-[4-methyl-6-(2-methylpropyl)oxan-3-yl]piperidine
SMILESCC(C)CC1CC(C)C(C2CN(C)CCC2C)CO1
InChIInChI=1S/C17H33NO/c1-12(2)8-15-9-14(4)17(11-19-15)16-10-18(5)7-6-13(16)3/h12-17H,6-11H2,1-5H3
InChIKeyOZJDCSCBILJPHY-UHFFFAOYSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.66
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-methyl-6-(2-methylpropyl)oxan-3-yl]piperidine?
The IUPAC name of 1,4-dimethyl-3-[4-methyl-6-(2-methylpropyl)oxan-3-yl]piperidine (CID 123266417) is 1,4-dimethyl-3-[4-methyl-6-(2-methylpropyl)oxan-3-yl]piperidine.
What is the SMILES notation for 1,4-dimethyl-3-[4-methyl-6-(2-methylpropyl)oxan-3-yl]piperidine?
The canonical SMILES for 1,4-dimethyl-3-[4-methyl-6-(2-methylpropyl)oxan-3-yl]piperidine is CC(C)CC1CC(C)C(C2CN(C)CCC2C)CO1.
What is the InChIKey of 1,4-dimethyl-3-[4-methyl-6-(2-methylpropyl)oxan-3-yl]piperidine?
The InChIKey is OZJDCSCBILJPHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-12(2)8-15-9-14(4)17(11-19-15)16-10-18(5)7-6-13(16)3/h12-17H,6-11H2,1-5H3.
What are the key properties of 1,4-dimethyl-3-[4-methyl-6-(2-methylpropyl)oxan-3-yl]piperidine?
1,4-dimethyl-3-[4-methyl-6-(2-methylpropyl)oxan-3-yl]piperidine has a molecular weight of 267.46 g/mol, XLogP of 3.66, 3 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-methyl-6-(2-methylpropyl)oxan-3-yl]piperidine is sourced from PubChem (CID 123266417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).