5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine

C17H27N3 — CID 64933236

IUPAC5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine
SMILESCC(C)C1CNC(C2CC2)CN1CCc1cccnc1
InChIInChI=1S/C17H27N3/c1-13(2)17-11-19-16(15-5-6-15)12-20(17)9-7-14-4-3-8-18-10-14/h3-4,8,10,13,15-17,19H,5-7,9,11-12H2,1-2H3
InChIKeyLBXYTGRKAMITLZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.33
Rot. Bonds5

About 5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine

5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine (PubChem CID 64933236) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine
PubChem CID64933236
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine
SMILESCC(C)C1CNC(C2CC2)CN1CCc1cccnc1
InChIInChI=1S/C17H27N3/c1-13(2)17-11-19-16(15-5-6-15)12-20(17)9-7-14-4-3-8-18-10-14/h3-4,8,10,13,15-17,19H,5-7,9,11-12H2,1-2H3
InChIKeyLBXYTGRKAMITLZ-UHFFFAOYSA-N
XLogP2.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine
CID 64937734
5-cyclopropyl-2-propan-2-yl-1-(2-thiophen-3-ylethyl)piperazine
CID 64861458
5-cyclopropyl-1-[2-(2-fluorophenyl)ethyl]-2-propan-2-ylpiperazine
CID 64932196
2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine
CID 64861091
1-[2-(cyclohexen-1-yl)ethyl]-5-cyclopropyl-2-propan-2-ylpiperazine
CID 107854279
5-cyclopropyl-1-(4-methyl-3-pyridinyl)-2-propan-2-ylpiperazine
CID 64939851
5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine
CID 64934187
5-cyclohexyl-2-propan-2-yl-1-propylpiperazine
CID 64861326
4-ethyl-5-(2-pyridin-3-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209922
3-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]pyridine
CID 63262845
N-[[1-(2-pyridin-3-ylethyl)piperidin-2-yl]methyl]propan-2-amine
CID 63848353
2-butan-2-yl-5-cyclopropyl-1-[(3-methylphenyl)methyl]piperazine
CID 64862227

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine (CID 64933236) is 5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine is CC(C)C1CNC(C2CC2)CN1CCc1cccnc1.
What is the InChIKey of 5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine?
The InChIKey is LBXYTGRKAMITLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-13(2)17-11-19-16(15-5-6-15)12-20(17)9-7-14-4-3-8-18-10-14/h3-4,8,10,13,15-17,19H,5-7,9,11-12H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine?
5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine has a molecular weight of 273.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine is sourced from PubChem (CID 64933236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).