4-[methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one

C15H28N2O2 — CID 119034961

IUPAC4-[methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one
SMILESCN(CCCC(=O)N1CCCCC1)CC1CCCO1
InChIInChI=1S/C15H28N2O2/c1-16(13-14-7-6-12-19-14)9-5-8-15(18)17-10-3-2-4-11-17/h14H,2-13H2,1H3
InChIKeyXERYHXDLFWCXPB-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.89
Rot. Bonds6

About 4-[methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one

4-[methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one (PubChem CID 119034961) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-[methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-[methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one
PubChem CID119034961
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-[methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one
SMILESCN(CCCC(=O)N1CCCCC1)CC1CCCO1
InChIInChI=1S/C15H28N2O2/c1-16(13-14-7-6-12-19-14)9-5-8-15(18)17-10-3-2-4-11-17/h14H,2-13H2,1H3
InChIKeyXERYHXDLFWCXPB-UHFFFAOYSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 4-[methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one (CID 119034961) is 4-[methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 4-[methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 4-[methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one is CN(CCCC(=O)N1CCCCC1)CC1CCCO1.
What is the InChIKey of 4-[methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one?
The InChIKey is XERYHXDLFWCXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-16(13-14-7-6-12-19-14)9-5-8-15(18)17-10-3-2-4-11-17/h14H,2-13H2,1H3.
What are the key properties of 4-[methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one?
4-[methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one has a molecular weight of 268.40 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxolan-2-ylmethyl)amino]-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 119034961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).