cumene;4-methylpiperidine

C15H25N — CID 158684278

IUPACcumene;4-methylpiperidine
SMILESCC(C)c1ccccc1.CC1CCNCC1
InChIInChI=1S/C9H12.C6H13N/c1-8(2)9-6-4-3-5-7-9;1-6-2-4-7-5-3-6/h3-8H,1-2H3;6-7H,2-5H2,1H3
InChIKeyIFNMGKVLLMBXPR-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.82
Rot. Bonds1

About cumene;4-methylpiperidine

cumene;4-methylpiperidine (PubChem CID 158684278) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is cumene;4-methylpiperidine.

Molecular Properties

Compound Namecumene;4-methylpiperidine
PubChem CID158684278
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Namecumene;4-methylpiperidine
SMILESCC(C)c1ccccc1.CC1CCNCC1
InChIInChI=1S/C9H12.C6H13N/c1-8(2)9-6-4-3-5-7-9;1-6-2-4-7-5-3-6/h3-8H,1-2H3;6-7H,2-5H2,1H3
InChIKeyIFNMGKVLLMBXPR-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cumene;4-methylpiperidine?
The IUPAC name of cumene;4-methylpiperidine (CID 158684278) is cumene;4-methylpiperidine.
What is the SMILES notation for cumene;4-methylpiperidine?
The canonical SMILES for cumene;4-methylpiperidine is CC(C)c1ccccc1.CC1CCNCC1.
What is the InChIKey of cumene;4-methylpiperidine?
The InChIKey is IFNMGKVLLMBXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C6H13N/c1-8(2)9-6-4-3-5-7-9;1-6-2-4-7-5-3-6/h3-8H,1-2H3;6-7H,2-5H2,1H3.
What are the key properties of cumene;4-methylpiperidine?
cumene;4-methylpiperidine has a molecular weight of 219.37 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;4-methylpiperidine is sourced from PubChem (CID 158684278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).