2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate

C12H23N3O2 — CID 69190855

IUPAC2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate
SMILESNC1CCCCN1C(=O)OCCN1CCCC1
InChIInChI=1S/C12H23N3O2/c13-11-5-1-2-8-15(11)12(16)17-10-9-14-6-3-4-7-14/h11H,1-10,13H2
InChIKeyZPPNJLPQZQJBBU-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.99
Rot. Bonds3

About 2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate

2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate (PubChem CID 69190855) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate.

Molecular Properties

Compound Name2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate
PubChem CID69190855
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate
SMILESNC1CCCCN1C(=O)OCCN1CCCC1
InChIInChI=1S/C12H23N3O2/c13-11-5-1-2-8-15(11)12(16)17-10-9-14-6-3-4-7-14/h11H,1-10,13H2
InChIKeyZPPNJLPQZQJBBU-UHFFFAOYSA-N
XLogP0.99
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

prop-2-ynyl 2-aminopyrrolidine-1-carboxylate
CID 175511332
2-pyrrolidin-1-ylethyl 1-methylpiperidine-2-carboxylate
CID 23176009
2-O-(2-methoxyethyl) 1-O-(2-piperidin-1-ylethyl) cyclohexane-1,2-dicarboxylate
CID 164933243
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
2-piperidin-1-ylethyl adamantane-2-carboxylate
CID 59383787
2-morpholin-4-ylethyl cyclohexanecarboxylate
CID 21150298
2-piperidin-1-ylethyl 2-chloroacetate
CID 12849131
2-piperidin-1-ylethyl 2-bromoacetate
CID 162508900
1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one
CID 138700109
3-methoxy-1-[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 95111813
ethyl 2-diethoxyphosphorylpiperidine-1-carboxylate
CID 20676716
1-(2-aminopyrrolidin-1-yl)butan-1-one
CID 138613238

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate?
The IUPAC name of 2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate (CID 69190855) is 2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate.
What is the SMILES notation for 2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate?
The canonical SMILES for 2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate is NC1CCCCN1C(=O)OCCN1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate?
The InChIKey is ZPPNJLPQZQJBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c13-11-5-1-2-8-15(11)12(16)17-10-9-14-6-3-4-7-14/h11H,1-10,13H2.
What are the key properties of 2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate?
2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate has a molecular weight of 241.33 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylethyl 2-aminopiperidine-1-carboxylate is sourced from PubChem (CID 69190855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).