2-piperidin-1-ylethyl 4-methylpiperazine-1-carboxylate

C13H25N3O2 — CID 515566

IUPAC2-piperidin-1-ylethyl 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OCCN2CCCCC2)CC1
InChIInChI=1S/C13H25N3O2/c1-14-7-9-16(10-8-14)13(17)18-12-11-15-5-3-2-4-6-15/h2-12H2,1H3
InChIKeyJDXWGESEHJOFKT-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.86
Rot. Bonds3

About 2-piperidin-1-ylethyl 4-methylpiperazine-1-carboxylate

2-piperidin-1-ylethyl 4-methylpiperazine-1-carboxylate (PubChem CID 515566) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 4-methylpiperazine-1-carboxylate
PubChem CID515566
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-piperidin-1-ylethyl 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OCCN2CCCCC2)CC1
InChIInChI=1S/C13H25N3O2/c1-14-7-9-16(10-8-14)13(17)18-12-11-15-5-3-2-4-6-15/h2-12H2,1H3
InChIKeyJDXWGESEHJOFKT-UHFFFAOYSA-N
XLogP0.86
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Piperidinecarboxylic acid, diethylaminoethyl ester
CID 410183
Ammonium, (2-hydroxyethyl)trimethyl-, iodide, 1-piperidinecarboxylate
CID 46590
1-Piperazinecarboxylic acid, 4-(2-morpholinoethyl)-, ethyl ester, hydrochloride
CID 212406
2-(4-Methylpiperazin-1-yl)ethyl 4-(trifluoromethyl)piperidine-1-carboxylate
CID 172434832
2-(4-Methylpiperazin-1-yl)ethyl 3,3-difluoropiperidine-1-carboxylate
CID 172435326
2-(4-Methylpiperazin-1-yl)ethyl 3-(trifluoromethyl)piperidine-1-carboxylate
CID 172438278
Cambridge id 5453405
CID 783862
2-Diethylaminoethyl 4-butylpiperazine-1-carboxylate
CID 515545
2-Diethylaminoethyl 4-hexylpiperazine-1-carboxylate
CID 515546
2-(Dibutylamino)ethyl 4-methylpiperazine-1-carboxylate
CID 515560
2-Morpholinoethyl 4-methylpiperazine-1-carboxylate
CID 515567
2-(4-Methylpiperazin-1-yl)ethyl 4-methylpiperazine-1-carboxylate
CID 515569

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 4-methylpiperazine-1-carboxylate?
The IUPAC name of 2-piperidin-1-ylethyl 4-methylpiperazine-1-carboxylate (CID 515566) is 2-piperidin-1-ylethyl 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for 2-piperidin-1-ylethyl 4-methylpiperazine-1-carboxylate?
The canonical SMILES for 2-piperidin-1-ylethyl 4-methylpiperazine-1-carboxylate is CN1CCN(C(=O)OCCN2CCCCC2)CC1.
What is the InChIKey of 2-piperidin-1-ylethyl 4-methylpiperazine-1-carboxylate?
The InChIKey is JDXWGESEHJOFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-14-7-9-16(10-8-14)13(17)18-12-11-15-5-3-2-4-6-15/h2-12H2,1H3.
What are the key properties of 2-piperidin-1-ylethyl 4-methylpiperazine-1-carboxylate?
2-piperidin-1-ylethyl 4-methylpiperazine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 515566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).