4-butyl-4-methylpiperidine;1-phenylethanone

C18H29NO — CID 144801922

IUPAC4-butyl-4-methylpiperidine;1-phenylethanone
SMILESCC(=O)c1ccccc1.CCCCC1(C)CCNCC1
InChIInChI=1S/C10H21N.C8H8O/c1-3-4-5-10(2)6-8-11-9-7-10;1-7(9)8-5-3-2-4-6-8/h11H,3-9H2,1-2H3;2-6H,1H3
InChIKeyMLGBLPHIKZQFDY-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.46
Rot. Bonds4

About 4-butyl-4-methylpiperidine;1-phenylethanone

4-butyl-4-methylpiperidine;1-phenylethanone (PubChem CID 144801922) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-butyl-4-methylpiperidine;1-phenylethanone.

Molecular Properties

Compound Name4-butyl-4-methylpiperidine;1-phenylethanone
PubChem CID144801922
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-butyl-4-methylpiperidine;1-phenylethanone
SMILESCC(=O)c1ccccc1.CCCCC1(C)CCNCC1
InChIInChI=1S/C10H21N.C8H8O/c1-3-4-5-10(2)6-8-11-9-7-10;1-7(9)8-5-3-2-4-6-8/h11H,3-9H2,1-2H3;2-6H,1H3
InChIKeyMLGBLPHIKZQFDY-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-methylpiperidine;1-phenylethanone?
The IUPAC name of 4-butyl-4-methylpiperidine;1-phenylethanone (CID 144801922) is 4-butyl-4-methylpiperidine;1-phenylethanone.
What is the SMILES notation for 4-butyl-4-methylpiperidine;1-phenylethanone?
The canonical SMILES for 4-butyl-4-methylpiperidine;1-phenylethanone is CC(=O)c1ccccc1.CCCCC1(C)CCNCC1.
What is the InChIKey of 4-butyl-4-methylpiperidine;1-phenylethanone?
The InChIKey is MLGBLPHIKZQFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C8H8O/c1-3-4-5-10(2)6-8-11-9-7-10;1-7(9)8-5-3-2-4-6-8/h11H,3-9H2,1-2H3;2-6H,1H3.
What are the key properties of 4-butyl-4-methylpiperidine;1-phenylethanone?
4-butyl-4-methylpiperidine;1-phenylethanone has a molecular weight of 275.44 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-methylpiperidine;1-phenylethanone is sourced from PubChem (CID 144801922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).