3-(diethylaminomethyl)-4-(4-hydroxypiperidin-1-yl)butan-2-one

C14H28N2O2 — CID 20550699

IUPAC3-(diethylaminomethyl)-4-(4-hydroxypiperidin-1-yl)butan-2-one
SMILESCCN(CC)CC(CN1CCC(O)CC1)C(C)=O
InChIInChI=1S/C14H28N2O2/c1-4-15(5-2)10-13(12(3)17)11-16-8-6-14(18)7-9-16/h13-14,18H,4-11H2,1-3H3
InChIKeyMOKVVRAISBRAIQ-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.99
Rot. Bonds7

About 3-(diethylaminomethyl)-4-(4-hydroxypiperidin-1-yl)butan-2-one

3-(diethylaminomethyl)-4-(4-hydroxypiperidin-1-yl)butan-2-one (PubChem CID 20550699) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(diethylaminomethyl)-4-(4-hydroxypiperidin-1-yl)butan-2-one.

Molecular Properties

Compound Name3-(diethylaminomethyl)-4-(4-hydroxypiperidin-1-yl)butan-2-one
PubChem CID20550699
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-(diethylaminomethyl)-4-(4-hydroxypiperidin-1-yl)butan-2-one
SMILESCCN(CC)CC(CN1CCC(O)CC1)C(C)=O
InChIInChI=1S/C14H28N2O2/c1-4-15(5-2)10-13(12(3)17)11-16-8-6-14(18)7-9-16/h13-14,18H,4-11H2,1-3H3
InChIKeyMOKVVRAISBRAIQ-UHFFFAOYSA-N
XLogP0.99
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylaminomethyl)-4-(4-hydroxypiperidin-1-yl)butan-2-one?
The IUPAC name of 3-(diethylaminomethyl)-4-(4-hydroxypiperidin-1-yl)butan-2-one (CID 20550699) is 3-(diethylaminomethyl)-4-(4-hydroxypiperidin-1-yl)butan-2-one.
What is the SMILES notation for 3-(diethylaminomethyl)-4-(4-hydroxypiperidin-1-yl)butan-2-one?
The canonical SMILES for 3-(diethylaminomethyl)-4-(4-hydroxypiperidin-1-yl)butan-2-one is CCN(CC)CC(CN1CCC(O)CC1)C(C)=O.
What is the InChIKey of 3-(diethylaminomethyl)-4-(4-hydroxypiperidin-1-yl)butan-2-one?
The InChIKey is MOKVVRAISBRAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-15(5-2)10-13(12(3)17)11-16-8-6-14(18)7-9-16/h13-14,18H,4-11H2,1-3H3.
What are the key properties of 3-(diethylaminomethyl)-4-(4-hydroxypiperidin-1-yl)butan-2-one?
3-(diethylaminomethyl)-4-(4-hydroxypiperidin-1-yl)butan-2-one has a molecular weight of 256.39 g/mol, XLogP of 0.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylaminomethyl)-4-(4-hydroxypiperidin-1-yl)butan-2-one is sourced from PubChem (CID 20550699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).