2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one

C13H23NO — CID 63829947

IUPAC2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one
SMILESCC1CC(=O)CCN1CC1(C)CCCC1
InChIInChI=1S/C13H23NO/c1-11-9-12(15)5-8-14(11)10-13(2)6-3-4-7-13/h11H,3-10H2,1-2H3
InChIKeyDABRUGAYULSYHU-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.62
Rot. Bonds2

About 2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one

2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one (PubChem CID 63829947) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one.

Molecular Properties

Compound Name2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one
PubChem CID63829947
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one
SMILESCC1CC(=O)CCN1CC1(C)CCCC1
InChIInChI=1S/C13H23NO/c1-11-9-12(15)5-8-14(11)10-13(2)6-3-4-7-13/h11H,3-10H2,1-2H3
InChIKeyDABRUGAYULSYHU-UHFFFAOYSA-N
XLogP2.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one?
The IUPAC name of 2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one (CID 63829947) is 2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one.
What is the SMILES notation for 2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one?
The canonical SMILES for 2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one is CC1CC(=O)CCN1CC1(C)CCCC1.
What is the InChIKey of 2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one?
The InChIKey is DABRUGAYULSYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11-9-12(15)5-8-14(11)10-13(2)6-3-4-7-13/h11H,3-10H2,1-2H3.
What are the key properties of 2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one?
2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one has a molecular weight of 209.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylcyclopentyl)methyl]piperidin-4-one is sourced from PubChem (CID 63829947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).