1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane

C15H31NO — CID 167457745

IUPAC1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane
SMILESC=CC(=O)N1CCC(C)(C)CC1.CC.CCC
InChIInChI=1S/C10H17NO.C3H8.C2H6/c1-4-9(12)11-7-5-10(2,3)6-8-11;1-3-2;1-2/h4H,1,5-8H2,2-3H3;3H2,1-2H3;1-2H3
InChIKeyBASOYPDBPRDOSQ-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.26
Rot. Bonds1

About 1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane

1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane (PubChem CID 167457745) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane.

Molecular Properties

Compound Name1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane
PubChem CID167457745
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane
SMILESC=CC(=O)N1CCC(C)(C)CC1.CC.CCC
InChIInChI=1S/C10H17NO.C3H8.C2H6/c1-4-9(12)11-7-5-10(2,3)6-8-11;1-3-2;1-2/h4H,1,5-8H2,2-3H3;3H2,1-2H3;1-2H3
InChIKeyBASOYPDBPRDOSQ-UHFFFAOYSA-N
XLogP4.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane?
The IUPAC name of 1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane (CID 167457745) is 1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane.
What is the SMILES notation for 1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane?
The canonical SMILES for 1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane is C=CC(=O)N1CCC(C)(C)CC1.CC.CCC.
What is the InChIKey of 1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane?
The InChIKey is BASOYPDBPRDOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.C3H8.C2H6/c1-4-9(12)11-7-5-10(2,3)6-8-11;1-3-2;1-2/h4H,1,5-8H2,2-3H3;3H2,1-2H3;1-2H3.
What are the key properties of 1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane?
1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane has a molecular weight of 241.42 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane is sourced from PubChem (CID 167457745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).