2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate

C13H24N2O2 — CID 23176009

IUPAC2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate
SMILESCN1CCCCC1C(=O)OCCN1CCCC1
InChIInChI=1S/C13H24N2O2/c1-14-7-3-2-6-12(14)13(16)17-11-10-15-8-4-5-9-15/h12H,2-11H2,1H3
InChIKeyMXZIWESKQDKEBS-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.11
Rot. Bonds4

About 2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate

2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate (PubChem CID 23176009) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate
PubChem CID23176009
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate
SMILESCN1CCCCC1C(=O)OCCN1CCCC1
InChIInChI=1S/C13H24N2O2/c1-14-7-3-2-6-12(14)13(16)17-11-10-15-8-4-5-9-15/h12H,2-11H2,1H3
InChIKeyMXZIWESKQDKEBS-UHFFFAOYSA-N
XLogP1.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)ethyl 1-methylazepane-2-carboxylate
CID 2848117
2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate
CID 164933243
2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate
CID 69190855
2-morpholin-4-ylethyl cyclohexanecarboxylate
CID 21150298
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
ethane;1-methylpiperidine-2-carboxamide
CID 143592848
4-O-(2-methoxyethyl) 1-O-(2-piperazin-1-ylethyl) cyclohexane-1,4-dicarboxylate
CID 164933248
cyclopentanecarboxylic acid;methyl (2R)-1-methylpyrrolidine-2-carboxylate
CID 165072023
2-piperidin-1-ylethyl adamantane-2-carboxylate
CID 59383787
hydron;1-methylpiperidine-2-carboxylic acid;chloride
CID 44558462
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
1-methylazepane-2-carbonyl chloride
CID 88548044

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate?
The IUPAC name of 2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate (CID 23176009) is 2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate is CN1CCCCC1C(=O)OCCN1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate?
The InChIKey is MXZIWESKQDKEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-14-7-3-2-6-12(14)13(16)17-11-10-15-8-4-5-9-15/h12H,2-11H2,1H3.
What are the key properties of 2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate?
2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate is sourced from PubChem (CID 23176009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).