methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate

C13H24N2O2 — CID 115103207

IUPACmethyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(CC2CCN(C)CC2)CCCN1
InChIInChI=1S/C13H24N2O2/c1-15-8-4-11(5-9-15)10-13(12(16)17-2)6-3-7-14-13/h11,14H,3-10H2,1-2H3
InChIKeyWFXQHBDYHNGLDP-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds3

About methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate

methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate (PubChem CID 115103207) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate
PubChem CID115103207
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)C1(CC2CCN(C)CC2)CCCN1
InChIInChI=1S/C13H24N2O2/c1-15-8-4-11(5-9-15)10-13(12(16)17-2)6-3-7-14-13/h11,14H,3-10H2,1-2H3
InChIKeyWFXQHBDYHNGLDP-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115103188
methyl 2-[(1-methylpiperidin-3-yl)methyl]piperidine-2-carboxylate
CID 115103685
methyl 2-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxylate
CID 115103541
methyl 2-[(4-methylpiperazin-1-yl)methyl]pyrrolidine-2-carboxylate
CID 117272108
methyl 2-[(1-propan-2-ylpiperidin-3-yl)methyl]pyrrolidine-2-carboxylate
CID 115103333
methyl 1-[(1-methylpiperidin-4-yl)methyl]cyclobutane-1-carboxylate
CID 116929765
methyl 2-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 115103287
methyl 3-(cyclopropylmethyl)-1,4-oxazepane-3-carboxylate
CID 105466761
methyl 2-[(1-propan-2-ylpiperidin-2-yl)methyl]piperidine-2-carboxylate
CID 115103668
2-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 115103189
2-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine-2-carboxylic acid
CID 115103561
[2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol
CID 115103547

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate (CID 115103207) is methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate is COC(=O)C1(CC2CCN(C)CC2)CCCN1.
What is the InChIKey of methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is WFXQHBDYHNGLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-15-8-4-11(5-9-15)10-13(12(16)17-2)6-3-7-14-13/h11,14H,3-10H2,1-2H3.
What are the key properties of methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate?
methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylpiperidin-4-yl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 115103207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).