2-piperidin-4-ylpropan-2-yl 4-methylcyclohex-3-ene-1-carboxylate

C16H27NO2 — CID 155075518

IUPAC2-piperidin-4-ylpropan-2-yl 4-methylcyclohex-3-ene-1-carboxylate
SMILESCC1=CCC(C(=O)OC(C)(C)C2CCNCC2)CC1
InChIInChI=1S/C16H27NO2/c1-12-4-6-13(7-5-12)15(18)19-16(2,3)14-8-10-17-11-9-14/h4,13-14,17H,5-11H2,1-3H3
InChIKeyWXCMFXQHAGXOIU-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.05
Rot. Bonds3

About 2-piperidin-4-ylpropan-2-yl 4-methylcyclohex-3-ene-1-carboxylate

2-piperidin-4-ylpropan-2-yl 4-methylcyclohex-3-ene-1-carboxylate (PubChem CID 155075518) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-piperidin-4-ylpropan-2-yl 4-methylcyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Name2-piperidin-4-ylpropan-2-yl 4-methylcyclohex-3-ene-1-carboxylate
PubChem CID155075518
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-piperidin-4-ylpropan-2-yl 4-methylcyclohex-3-ene-1-carboxylate
SMILESCC1=CCC(C(=O)OC(C)(C)C2CCNCC2)CC1
InChIInChI=1S/C16H27NO2/c1-12-4-6-13(7-5-12)15(18)19-16(2,3)14-8-10-17-11-9-14/h4,13-14,17H,5-11H2,1-3H3
InChIKeyWXCMFXQHAGXOIU-UHFFFAOYSA-N
XLogP3.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-piperidin-4-ylpropan-2-yl 4-methylcyclohex-3-ene-1-carboxylate 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 2-piperidin-4-ylpropan-2-yl 4-methylcyclohex-3-ene-1-carboxylate?
The IUPAC name of 2-piperidin-4-ylpropan-2-yl 4-methylcyclohex-3-ene-1-carboxylate (CID 155075518) is 2-piperidin-4-ylpropan-2-yl 4-methylcyclohex-3-ene-1-carboxylate.
What is the SMILES notation for 2-piperidin-4-ylpropan-2-yl 4-methylcyclohex-3-ene-1-carboxylate?
The canonical SMILES for 2-piperidin-4-ylpropan-2-yl 4-methylcyclohex-3-ene-1-carboxylate is CC1=CCC(C(=O)OC(C)(C)C2CCNCC2)CC1.
What is the InChIKey of 2-piperidin-4-ylpropan-2-yl 4-methylcyclohex-3-ene-1-carboxylate?
The InChIKey is WXCMFXQHAGXOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12-4-6-13(7-5-12)15(18)19-16(2,3)14-8-10-17-11-9-14/h4,13-14,17H,5-11H2,1-3H3.
What are the key properties of 2-piperidin-4-ylpropan-2-yl 4-methylcyclohex-3-ene-1-carboxylate?
2-piperidin-4-ylpropan-2-yl 4-methylcyclohex-3-ene-1-carboxylate has a molecular weight of 265.40 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-ylpropan-2-yl 4-methylcyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 155075518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).