4-ethyl-4-methylpiperidine;1-piperidin-1-ylprop-2-en-1-one

C16H30N2O — CID 175432934

IUPAC4-ethyl-4-methylpiperidine;1-piperidin-1-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCCCC1.CCC1(C)CCNCC1
InChIInChI=1S/C8H13NO.C8H17N/c1-2-8(10)9-6-4-3-5-7-9;1-3-8(2)4-6-9-7-5-8/h2H,1,3-7H2;9H,3-7H2,1-2H3
InChIKeyIELVAWZHRMKIGI-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.97
Rot. Bonds2

About 4-ethyl-4-methylpiperidine;1-piperidin-1-ylprop-2-en-1-one

4-ethyl-4-methylpiperidine;1-piperidin-1-ylprop-2-en-1-one (PubChem CID 175432934) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-ethyl-4-methylpiperidine;1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name4-ethyl-4-methylpiperidine;1-piperidin-1-ylprop-2-en-1-one
PubChem CID175432934
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name4-ethyl-4-methylpiperidine;1-piperidin-1-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCCCC1.CCC1(C)CCNCC1
InChIInChI=1S/C8H13NO.C8H17N/c1-2-8(10)9-6-4-3-5-7-9;1-3-8(2)4-6-9-7-5-8/h2H,1,3-7H2;9H,3-7H2,1-2H3
InChIKeyIELVAWZHRMKIGI-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methylpiperidine;1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of 4-ethyl-4-methylpiperidine;1-piperidin-1-ylprop-2-en-1-one (CID 175432934) is 4-ethyl-4-methylpiperidine;1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for 4-ethyl-4-methylpiperidine;1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for 4-ethyl-4-methylpiperidine;1-piperidin-1-ylprop-2-en-1-one is C=CC(=O)N1CCCCC1.CCC1(C)CCNCC1.
What is the InChIKey of 4-ethyl-4-methylpiperidine;1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is IELVAWZHRMKIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C8H17N/c1-2-8(10)9-6-4-3-5-7-9;1-3-8(2)4-6-9-7-5-8/h2H,1,3-7H2;9H,3-7H2,1-2H3.
What are the key properties of 4-ethyl-4-methylpiperidine;1-piperidin-1-ylprop-2-en-1-one?
4-ethyl-4-methylpiperidine;1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methylpiperidine;1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 175432934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).