5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine

C16H27N3 — CID 64934187

IUPAC5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine
SMILESCC1CNC(C(C)(C)C)CN1CCc1cccnc1
InChIInChI=1S/C16H27N3/c1-13-10-18-15(16(2,3)4)12-19(13)9-7-14-6-5-8-17-11-14/h5-6,8,11,13,15,18H,7,9-10,12H2,1-4H3
InChIKeyQAAJXAFHGVEIPL-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.33
Rot. Bonds3

About 5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine

5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine (PubChem CID 64934187) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine
PubChem CID64934187
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine
SMILESCC1CNC(C(C)(C)C)CN1CCc1cccnc1
InChIInChI=1S/C16H27N3/c1-13-10-18-15(16(2,3)4)12-19(13)9-7-14-6-5-8-17-11-14/h5-6,8,11,13,15,18H,7,9-10,12H2,1-4H3
InChIKeyQAAJXAFHGVEIPL-UHFFFAOYSA-N
XLogP2.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-1-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine
CID 64930181
2,5-di(propan-2-yl)-1-(2-pyridin-3-ylethyl)piperazine
CID 64937734
5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64841815
5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine
CID 64933236
3,7-dimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64870565
4-ethyl-5-(2-pyridin-3-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209922
5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine
CID 64843393
2,5-ditert-butyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64840895
5-tert-butyl-1-heptyl-2-methylpiperazine
CID 64841619
3-[2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)ethyl]pyridine
CID 63262845
2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine
CID 64833712
2-[2,5-dimethyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanamine
CID 77246039

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine?
The IUPAC name of 5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine (CID 64934187) is 5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine?
The canonical SMILES for 5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine is CC1CNC(C(C)(C)C)CN1CCc1cccnc1.
What is the InChIKey of 5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine?
The InChIKey is QAAJXAFHGVEIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-10-18-15(16(2,3)4)12-19(13)9-7-14-6-5-8-17-11-14/h5-6,8,11,13,15,18H,7,9-10,12H2,1-4H3.
What are the key properties of 5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine?
5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine has a molecular weight of 261.41 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine is sourced from PubChem (CID 64934187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).