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

C20H39NO — CID 123141915

IUPAC4-methyl-1-[2-methyl-3-[4-methyl-6-(2-methylpropyl)oxan-2-yl]propyl]piperidine
SMILESCC(C)CC1CC(C)CC(CC(C)CN2CCC(C)CC2)O1
InChIInChI=1S/C20H39NO/c1-15(2)10-19-11-17(4)12-20(22-19)13-18(5)14-21-8-6-16(3)7-9-21/h15-20H,6-14H2,1-5H3
InChIKeyRPNLQKVCLQSBKG-UHFFFAOYSA-N
MW309.54 g/mol
LogP4.97
Rot. Bonds6

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

4-methyl-1-[2-methyl-3-[4-methyl-6-(2-methylpropyl)oxan-2-yl]propyl]piperidine (PubChem CID 123141915) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is 4-methyl-1-[2-methyl-3-[4-methyl-6-(2-methylpropyl)oxan-2-yl]propyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[2-methyl-3-[4-methyl-6-(2-methylpropyl)oxan-2-yl]propyl]piperidine
PubChem CID123141915
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name4-methyl-1-[2-methyl-3-[4-methyl-6-(2-methylpropyl)oxan-2-yl]propyl]piperidine
SMILESCC(C)CC1CC(C)CC(CC(C)CN2CCC(C)CC2)O1
InChIInChI=1S/C20H39NO/c1-15(2)10-19-11-17(4)12-20(22-19)13-18(5)14-21-8-6-16(3)7-9-21/h15-20H,6-14H2,1-5H3
InChIKeyRPNLQKVCLQSBKG-UHFFFAOYSA-N
XLogP4.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-methyl-3-[4-methyl-6-(2-methylpropyl)oxan-2-yl]propyl]piperidine?
The IUPAC name of 4-methyl-1-[2-methyl-3-[4-methyl-6-(2-methylpropyl)oxan-2-yl]propyl]piperidine (CID 123141915) is 4-methyl-1-[2-methyl-3-[4-methyl-6-(2-methylpropyl)oxan-2-yl]propyl]piperidine.
What is the SMILES notation for 4-methyl-1-[2-methyl-3-[4-methyl-6-(2-methylpropyl)oxan-2-yl]propyl]piperidine?
The canonical SMILES for 4-methyl-1-[2-methyl-3-[4-methyl-6-(2-methylpropyl)oxan-2-yl]propyl]piperidine is CC(C)CC1CC(C)CC(CC(C)CN2CCC(C)CC2)O1.
What is the InChIKey of 4-methyl-1-[2-methyl-3-[4-methyl-6-(2-methylpropyl)oxan-2-yl]propyl]piperidine?
The InChIKey is RPNLQKVCLQSBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO/c1-15(2)10-19-11-17(4)12-20(22-19)13-18(5)14-21-8-6-16(3)7-9-21/h15-20H,6-14H2,1-5H3.
What are the key properties of 4-methyl-1-[2-methyl-3-[4-methyl-6-(2-methylpropyl)oxan-2-yl]propyl]piperidine?
4-methyl-1-[2-methyl-3-[4-methyl-6-(2-methylpropyl)oxan-2-yl]propyl]piperidine has a molecular weight of 309.54 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-methyl-3-[4-methyl-6-(2-methylpropyl)oxan-2-yl]propyl]piperidine is sourced from PubChem (CID 123141915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).