3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine

C15H29NO — CID 170290565

IUPAC3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine
SMILESCN1CCCC(C(C)(C)CC(C)(C)C2CO2)C1
InChIInChI=1S/C15H29NO/c1-14(2,11-15(3,4)13-10-17-13)12-7-6-8-16(5)9-12/h12-13H,6-11H2,1-5H3
InChIKeyHWEBPNILUMVJEH-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.17
Rot. Bonds4

About 3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine

3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine (PubChem CID 170290565) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine.

Molecular Properties

Compound Name3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine
PubChem CID170290565
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine
SMILESCN1CCCC(C(C)(C)CC(C)(C)C2CO2)C1
InChIInChI=1S/C15H29NO/c1-14(2,11-15(3,4)13-10-17-13)12-7-6-8-16(5)9-12/h12-13H,6-11H2,1-5H3
InChIKeyHWEBPNILUMVJEH-UHFFFAOYSA-N
XLogP3.17
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine?
The IUPAC name of 3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine (CID 170290565) is 3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine.
What is the SMILES notation for 3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine?
The canonical SMILES for 3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine is CN1CCCC(C(C)(C)CC(C)(C)C2CO2)C1.
What is the InChIKey of 3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine?
The InChIKey is HWEBPNILUMVJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2,11-15(3,4)13-10-17-13)12-7-6-8-16(5)9-12/h12-13H,6-11H2,1-5H3.
What are the key properties of 3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine?
3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine has a molecular weight of 239.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-dimethyl-4-(oxiran-2-yl)pentan-2-yl]-1-methylpiperidine is sourced from PubChem (CID 170290565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).