4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one

C16H29NO2 — CID 102966876

IUPAC4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN2CCC(C)C(OC)C2)C1
InChIInChI=1S/C16H29NO2/c1-4-13-5-6-15(18)14(9-13)10-17-8-7-12(2)16(11-17)19-3/h12-14,16H,4-11H2,1-3H3
InChIKeyVTYWQNRBNPCXPD-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.74
Rot. Bonds4

About 4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one

4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one (PubChem CID 102966876) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one
PubChem CID102966876
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN2CCC(C)C(OC)C2)C1
InChIInChI=1S/C16H29NO2/c1-4-13-5-6-15(18)14(9-13)10-17-8-7-12(2)16(11-17)19-3/h12-14,16H,4-11H2,1-3H3
InChIKeyVTYWQNRBNPCXPD-UHFFFAOYSA-N
XLogP2.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one (CID 102966876) is 4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN2CCC(C)C(OC)C2)C1.
What is the InChIKey of 4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one?
The InChIKey is VTYWQNRBNPCXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-4-13-5-6-15(18)14(9-13)10-17-8-7-12(2)16(11-17)19-3/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one?
4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one has a molecular weight of 267.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 102966876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).