[cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate

C16H27NO2 — CID 130359242

IUPAC[cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC(C1CCCCC1)C1CCC=CN1
InChIInChI=1S/C16H27NO2/c1-12(2)16(18)19-15(13-8-4-3-5-9-13)14-10-6-7-11-17-14/h7,11-15,17H,3-6,8-10H2,1-2H3
InChIKeyBSXWYCLKYKIHJH-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.40
Rot. Bonds4

About [cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate

[cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate (PubChem CID 130359242) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is [cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate.

Molecular Properties

Compound Name[cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate
PubChem CID130359242
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name[cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate
SMILESCC(C)C(=O)OC(C1CCCCC1)C1CCC=CN1
InChIInChI=1S/C16H27NO2/c1-12(2)16(18)19-15(13-8-4-3-5-9-13)14-10-6-7-11-17-14/h7,11-15,17H,3-6,8-10H2,1-2H3
InChIKeyBSXWYCLKYKIHJH-UHFFFAOYSA-N
XLogP3.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate?
The IUPAC name of [cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate (CID 130359242) is [cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate.
What is the SMILES notation for [cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate?
The canonical SMILES for [cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate is CC(C)C(=O)OC(C1CCCCC1)C1CCC=CN1.
What is the InChIKey of [cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate?
The InChIKey is BSXWYCLKYKIHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)16(18)19-15(13-8-4-3-5-9-13)14-10-6-7-11-17-14/h7,11-15,17H,3-6,8-10H2,1-2H3.
What are the key properties of [cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate?
[cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate has a molecular weight of 265.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(1,2,3,4-tetrahydropyridin-2-yl)methyl] 2-methylpropanoate is sourced from PubChem (CID 130359242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).