2-methylpropyl 4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxylate

C19H36N2O2 — CID 69357523

IUPAC2-methylpropyl 4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H36N2O2/c1-15(2)14-23-19(22)21-11-7-18(8-12-21)13-17-5-9-20(10-6-17)16(3)4/h15-18H,5-14H2,1-4H3
InChIKeyKAVKWTDOENNQFJ-UHFFFAOYSA-N
MW324.51 g/mol
LogP4.00
Rot. Bonds5

About 2-methylpropyl 4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxylate

2-methylpropyl 4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxylate (PubChem CID 69357523) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is 2-methylpropyl 4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxylate
PubChem CID69357523
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Name2-methylpropyl 4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(CC2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C19H36N2O2/c1-15(2)14-23-19(22)21-11-7-18(8-12-21)13-17-5-9-20(10-6-17)16(3)4/h15-18H,5-14H2,1-4H3
InChIKeyKAVKWTDOENNQFJ-UHFFFAOYSA-N
XLogP4.00
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methylpropyl 4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-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-methylpropyl 4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxylate (CID 69357523) is 2-methylpropyl 4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(CC2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 2-methylpropyl 4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxylate?
The InChIKey is KAVKWTDOENNQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-15(2)14-23-19(22)21-11-7-18(8-12-21)13-17-5-9-20(10-6-17)16(3)4/h15-18H,5-14H2,1-4H3.
What are the key properties of 2-methylpropyl 4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxylate?
2-methylpropyl 4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxylate has a molecular weight of 324.51 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 69357523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).