2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one

C14H25NO — CID 45097785

IUPAC2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one
SMILESCC1CCN(CC2CCCCC2=O)C(C)C1
InChIInChI=1S/C14H25NO/c1-11-7-8-15(12(2)9-11)10-13-5-3-4-6-14(13)16/h11-13H,3-10H2,1-2H3
InChIKeyUSCGFYKFMGTDQJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.87
Rot. Bonds2

About 2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one

2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one (PubChem CID 45097785) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one
PubChem CID45097785
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one
SMILESCC1CCN(CC2CCCCC2=O)C(C)C1
InChIInChI=1S/C14H25NO/c1-11-7-8-15(12(2)9-11)10-13-5-3-4-6-14(13)16/h11-13H,3-10H2,1-2H3
InChIKeyUSCGFYKFMGTDQJ-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of 2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one (CID 45097785) is 2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one is CC1CCN(CC2CCCCC2=O)C(C)C1.
What is the InChIKey of 2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one?
The InChIKey is USCGFYKFMGTDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11-7-8-15(12(2)9-11)10-13-5-3-4-6-14(13)16/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one?
2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one has a molecular weight of 223.36 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylpiperidin-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 45097785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).