3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane

C18H36N2O2 — CID 142393124

IUPAC3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane
SMILESCC.CC(C)(C)CC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H30N2O2.C2H6/c1-16(2,3)12-15(19)18-6-4-14(5-7-18)13-17-8-10-20-11-9-17;1-2/h14H,4-13H2,1-3H3;1-2H3
InChIKeyFRAOTECYWDBVTR-UHFFFAOYSA-N
MW312.50 g/mol
LogP3.02
Rot. Bonds3

About 3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane

3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane (PubChem CID 142393124) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane.

Molecular Properties

Compound Name3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane
PubChem CID142393124
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Name3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane
SMILESCC.CC(C)(C)CC(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C16H30N2O2.C2H6/c1-16(2,3)12-15(19)18-6-4-14(5-7-18)13-17-8-10-20-11-9-17;1-2/h14H,4-13H2,1-3H3;1-2H3
InChIKeyFRAOTECYWDBVTR-UHFFFAOYSA-N
XLogP3.02
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane?
The IUPAC name of 3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane (CID 142393124) is 3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane.
What is the SMILES notation for 3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane?
The canonical SMILES for 3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane is CC.CC(C)(C)CC(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane?
The InChIKey is FRAOTECYWDBVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.C2H6/c1-16(2,3)12-15(19)18-6-4-14(5-7-18)13-17-8-10-20-11-9-17;1-2/h14H,4-13H2,1-3H3;1-2H3.
What are the key properties of 3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane?
3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane has a molecular weight of 312.50 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one;ethane is sourced from PubChem (CID 142393124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).