piperidin-4-yl 2-(4-methylcyclohexyl)acetate

C14H25NO2 — CID 58394666

IUPACpiperidin-4-yl 2-(4-methylcyclohexyl)acetate
SMILESCC1CCC(CC(=O)OC2CCNCC2)CC1
InChIInChI=1S/C14H25NO2/c1-11-2-4-12(5-3-11)10-14(16)17-13-6-8-15-9-7-13/h11-13,15H,2-10H2,1H3
InChIKeyXCTSQGNHNUGCFI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.50
Rot. Bonds3

About piperidin-4-yl 2-(4-methylcyclohexyl)acetate

piperidin-4-yl 2-(4-methylcyclohexyl)acetate (PubChem CID 58394666) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is piperidin-4-yl 2-(4-methylcyclohexyl)acetate.

Molecular Properties

Compound Namepiperidin-4-yl 2-(4-methylcyclohexyl)acetate
PubChem CID58394666
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Namepiperidin-4-yl 2-(4-methylcyclohexyl)acetate
SMILESCC1CCC(CC(=O)OC2CCNCC2)CC1
InChIInChI=1S/C14H25NO2/c1-11-2-4-12(5-3-11)10-14(16)17-13-6-8-15-9-7-13/h11-13,15H,2-10H2,1H3
InChIKeyXCTSQGNHNUGCFI-UHFFFAOYSA-N
XLogP2.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 2-(4-methylcyclohexyl)acetate?
The IUPAC name of piperidin-4-yl 2-(4-methylcyclohexyl)acetate (CID 58394666) is piperidin-4-yl 2-(4-methylcyclohexyl)acetate.
What is the SMILES notation for piperidin-4-yl 2-(4-methylcyclohexyl)acetate?
The canonical SMILES for piperidin-4-yl 2-(4-methylcyclohexyl)acetate is CC1CCC(CC(=O)OC2CCNCC2)CC1.
What is the InChIKey of piperidin-4-yl 2-(4-methylcyclohexyl)acetate?
The InChIKey is XCTSQGNHNUGCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-2-4-12(5-3-11)10-14(16)17-13-6-8-15-9-7-13/h11-13,15H,2-10H2,1H3.
What are the key properties of piperidin-4-yl 2-(4-methylcyclohexyl)acetate?
piperidin-4-yl 2-(4-methylcyclohexyl)acetate has a molecular weight of 239.36 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 2-(4-methylcyclohexyl)acetate is sourced from PubChem (CID 58394666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).