2-[[2-(diethylaminomethyl)piperidin-1-yl]methyl]-1-methylpiperidin-4-one

C17H33N3O — CID 142949310

IUPAC2-[[2-(diethylaminomethyl)piperidin-1-yl]methyl]-1-methylpiperidin-4-one
SMILESCCN(CC)CC1CCCCN1CC1CC(=O)CCN1C
InChIInChI=1S/C17H33N3O/c1-4-19(5-2)13-15-8-6-7-10-20(15)14-16-12-17(21)9-11-18(16)3/h15-16H,4-14H2,1-3H3
InChIKeyVNMBTGJMROMUNE-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.85
Rot. Bonds6

About 2-[[2-(diethylaminomethyl)piperidin-1-yl]methyl]-1-methylpiperidin-4-one

2-[[2-(diethylaminomethyl)piperidin-1-yl]methyl]-1-methylpiperidin-4-one (PubChem CID 142949310) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[[2-(diethylaminomethyl)piperidin-1-yl]methyl]-1-methylpiperidin-4-one.

Molecular Properties

Compound Name2-[[2-(diethylaminomethyl)piperidin-1-yl]methyl]-1-methylpiperidin-4-one
PubChem CID142949310
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[[2-(diethylaminomethyl)piperidin-1-yl]methyl]-1-methylpiperidin-4-one
SMILESCCN(CC)CC1CCCCN1CC1CC(=O)CCN1C
InChIInChI=1S/C17H33N3O/c1-4-19(5-2)13-15-8-6-7-10-20(15)14-16-12-17(21)9-11-18(16)3/h15-16H,4-14H2,1-3H3
InChIKeyVNMBTGJMROMUNE-UHFFFAOYSA-N
XLogP1.85
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylaminomethyl)piperidin-1-yl]methyl]-1-methylpiperidin-4-one?
The IUPAC name of 2-[[2-(diethylaminomethyl)piperidin-1-yl]methyl]-1-methylpiperidin-4-one (CID 142949310) is 2-[[2-(diethylaminomethyl)piperidin-1-yl]methyl]-1-methylpiperidin-4-one.
What is the SMILES notation for 2-[[2-(diethylaminomethyl)piperidin-1-yl]methyl]-1-methylpiperidin-4-one?
The canonical SMILES for 2-[[2-(diethylaminomethyl)piperidin-1-yl]methyl]-1-methylpiperidin-4-one is CCN(CC)CC1CCCCN1CC1CC(=O)CCN1C.
What is the InChIKey of 2-[[2-(diethylaminomethyl)piperidin-1-yl]methyl]-1-methylpiperidin-4-one?
The InChIKey is VNMBTGJMROMUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-19(5-2)13-15-8-6-7-10-20(15)14-16-12-17(21)9-11-18(16)3/h15-16H,4-14H2,1-3H3.
What are the key properties of 2-[[2-(diethylaminomethyl)piperidin-1-yl]methyl]-1-methylpiperidin-4-one?
2-[[2-(diethylaminomethyl)piperidin-1-yl]methyl]-1-methylpiperidin-4-one has a molecular weight of 295.47 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylaminomethyl)piperidin-1-yl]methyl]-1-methylpiperidin-4-one is sourced from PubChem (CID 142949310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).