methyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate

C15H28N2O2 — CID 117270087

IUPACmethyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate
SMILESCCN1CCCCC1CC1CNC(C)(C(=O)OC)C1
InChIInChI=1S/C15H28N2O2/c1-4-17-8-6-5-7-13(17)9-12-10-15(2,16-11-12)14(18)19-3/h12-13,16H,4-11H2,1-3H3
InChIKeySXWUSKHMLIMHON-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.79
Rot. Bonds4

About methyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate

methyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate (PubChem CID 117270087) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate
PubChem CID117270087
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate
SMILESCCN1CCCCC1CC1CNC(C)(C(=O)OC)C1
InChIInChI=1S/C15H28N2O2/c1-4-17-8-6-5-7-13(17)9-12-10-15(2,16-11-12)14(18)19-3/h12-13,16H,4-11H2,1-3H3
InChIKeySXWUSKHMLIMHON-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(1,1-dioxothiolan-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate
CID 117270040
methyl (2R,4R)-4-fluoro-2-methylpyrrolidine-2-carboxylate
CID 125448955
[4-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 117270553
(1-ethylazepan-2-yl)methanol
CID 2849413
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 79699728
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylpyrrolidine-2-carboxamide
CID 79314006
methyl 3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-1-(methylamino)cyclopentane-1-carboxylate
CID 79645914
methyl 2-methyl-4-(thiolan-2-yl)pyrrolidine-2-carboxylate
CID 117269988
diethyl 2-methylpyrrolidine-2,4-dicarboxylate
CID 141036690
methyl 2-methyl-4-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-2-carboxylate
CID 117269892
methyl 4-(2-methoxyethyl)-2-methylpiperidine-2-carboxylate
CID 117258237
1,2-diethylpiperidine
CID 19604037

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate (CID 117270087) is methyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate is CCN1CCCCC1CC1CNC(C)(C(=O)OC)C1.
What is the InChIKey of methyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate?
The InChIKey is SXWUSKHMLIMHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-17-8-6-5-7-13(17)9-12-10-15(2,16-11-12)14(18)19-3/h12-13,16H,4-11H2,1-3H3.
What are the key properties of methyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate?
methyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate has a molecular weight of 268.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-ethylpiperidin-2-yl)methyl]-2-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 117270087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).