5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine

C16H33N3 — CID 64933802

IUPAC5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine
SMILESCCN1CCC(CN2CC(C(C)(C)C)NCC2C)C1
InChIInChI=1S/C16H33N3/c1-6-18-8-7-14(10-18)11-19-12-15(16(3,4)5)17-9-13(19)2/h13-15,17H,6-12H2,1-5H3
InChIKeyZGZJMZZFXPGLFE-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds3

About 5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine

5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine (PubChem CID 64933802) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine.

Molecular Properties

Compound Name5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine
PubChem CID64933802
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine
SMILESCCN1CCC(CN2CC(C(C)(C)C)NCC2C)C1
InChIInChI=1S/C16H33N3/c1-6-18-8-7-14(10-18)11-19-12-15(16(3,4)5)17-9-13(19)2/h13-15,17H,6-12H2,1-5H3
InChIKeyZGZJMZZFXPGLFE-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2-methyl-1-(oxolan-2-ylmethyl)piperazine
CID 64841812
5-tert-butyl-1-heptyl-2-methylpiperazine
CID 64841619
5-tert-butyl-2-methyl-1-(3-methylbutyl)piperazine
CID 64841815
5-tert-butyl-1-(2-ethoxy-2-methylpropyl)-2-methylpiperazine
CID 114944393
5-tert-butyl-1-(cyclopropylmethyl)-2-propan-2-ylpiperazine
CID 64842219
5-tert-butyl-1-[(1-ethylcyclobutyl)methyl]-2-methylpiperazine
CID 114109452
5-cyclopropyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylpiperazine
CID 64934748
5-tert-butyl-1-(cyclopentylmethyl)-2-cyclopropylpiperazine
CID 64841267
5-butan-2-yl-2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]piperazine
CID 64936762
5,5-diethyl-1-[(1-ethylpiperidin-4-yl)methyl]-2-methylpiperazine
CID 64947875
5-tert-butyl-2-ethyl-1-(oxolan-3-ylmethyl)piperazine
CID 64843761
N-[(1-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine
CID 139362813

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine?
The IUPAC name of 5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine (CID 64933802) is 5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine.
What is the SMILES notation for 5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine?
The canonical SMILES for 5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine is CCN1CCC(CN2CC(C(C)(C)C)NCC2C)C1.
What is the InChIKey of 5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine?
The InChIKey is ZGZJMZZFXPGLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-6-18-8-7-14(10-18)11-19-12-15(16(3,4)5)17-9-13(19)2/h13-15,17H,6-12H2,1-5H3.
What are the key properties of 5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine?
5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine has a molecular weight of 267.46 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylpiperazine is sourced from PubChem (CID 64933802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).