(1-methylpiperidin-4-yl) 4-benzyl-2,2-dimethylpyrrolidine-1-carboxylate

C20H30N2O2 — CID 166494697

IUPAC(1-methylpiperidin-4-yl) 4-benzyl-2,2-dimethylpyrrolidine-1-carboxylate
SMILESCN1CCC(OC(=O)N2CC(Cc3ccccc3)CC2(C)C)CC1
InChIInChI=1S/C20H30N2O2/c1-20(2)14-17(13-16-7-5-4-6-8-16)15-22(20)19(23)24-18-9-11-21(3)12-10-18/h4-8,17-18H,9-15H2,1-3H3
InChIKeyUILCPALGBONKSK-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.56
Rot. Bonds3

About (1-methylpiperidin-4-yl) 4-benzyl-2,2-dimethylpyrrolidine-1-carboxylate

(1-methylpiperidin-4-yl) 4-benzyl-2,2-dimethylpyrrolidine-1-carboxylate (PubChem CID 166494697) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 4-benzyl-2,2-dimethylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 4-benzyl-2,2-dimethylpyrrolidine-1-carboxylate
PubChem CID166494697
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name(1-methylpiperidin-4-yl) 4-benzyl-2,2-dimethylpyrrolidine-1-carboxylate
SMILESCN1CCC(OC(=O)N2CC(Cc3ccccc3)CC2(C)C)CC1
InChIInChI=1S/C20H30N2O2/c1-20(2)14-17(13-16-7-5-4-6-8-16)15-22(20)19(23)24-18-9-11-21(3)12-10-18/h4-8,17-18H,9-15H2,1-3H3
InChIKeyUILCPALGBONKSK-UHFFFAOYSA-N
XLogP3.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 4-benzyl-2,2-dimethylpyrrolidine-1-carboxylate?
The IUPAC name of (1-methylpiperidin-4-yl) 4-benzyl-2,2-dimethylpyrrolidine-1-carboxylate (CID 166494697) is (1-methylpiperidin-4-yl) 4-benzyl-2,2-dimethylpyrrolidine-1-carboxylate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 4-benzyl-2,2-dimethylpyrrolidine-1-carboxylate?
The canonical SMILES for (1-methylpiperidin-4-yl) 4-benzyl-2,2-dimethylpyrrolidine-1-carboxylate is CN1CCC(OC(=O)N2CC(Cc3ccccc3)CC2(C)C)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 4-benzyl-2,2-dimethylpyrrolidine-1-carboxylate?
The InChIKey is UILCPALGBONKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-20(2)14-17(13-16-7-5-4-6-8-16)15-22(20)19(23)24-18-9-11-21(3)12-10-18/h4-8,17-18H,9-15H2,1-3H3.
What are the key properties of (1-methylpiperidin-4-yl) 4-benzyl-2,2-dimethylpyrrolidine-1-carboxylate?
(1-methylpiperidin-4-yl) 4-benzyl-2,2-dimethylpyrrolidine-1-carboxylate has a molecular weight of 330.47 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 4-benzyl-2,2-dimethylpyrrolidine-1-carboxylate is sourced from PubChem (CID 166494697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).