5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine

C17H26N2 — CID 64861828

IUPAC5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
SMILESCCC1CNC(C2CC2)CN1Cc1ccc(C)cc1
InChIInChI=1S/C17H26N2/c1-3-16-10-18-17(15-8-9-15)12-19(16)11-14-6-4-13(2)5-7-14/h4-7,15-18H,3,8-12H2,1-2H3
InChIKeyMCQACIIBJIMUII-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.96
Rot. Bonds4

About 5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine

5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine (PubChem CID 64861828) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
PubChem CID64861828
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
SMILESCCC1CNC(C2CC2)CN1Cc1ccc(C)cc1
InChIInChI=1S/C17H26N2/c1-3-16-10-18-17(15-8-9-15)12-19(16)11-14-6-4-13(2)5-7-14/h4-7,15-18H,3,8-12H2,1-2H3
InChIKeyMCQACIIBJIMUII-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
CID 64862407
2-ethyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64832516
5-butan-2-yl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine
CID 64848030
5-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-2-ethylpiperazine
CID 107310519
5-cyclopropyl-1,2-diethylpiperazine
CID 64862405
1-[(4-chloro-2-fluorophenyl)methyl]-5-cyclopropyl-2-ethylpiperazine
CID 114860665
5-cyclopropyl-2-ethyl-1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 105375742
5-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-2-propylpiperazine
CID 64859717
2,5-diethyl-1-[(4-ethylphenyl)methyl]piperazine
CID 64842304
5-cyclopropyl-2-methyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64860473
5-[(5-cyclohexyl-2-ethylpiperazin-1-yl)methyl]-3-methyl-1,2-oxazole
CID 64947329
5-cyclopropyl-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 64860864

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine?
The IUPAC name of 5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine (CID 64861828) is 5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine?
The canonical SMILES for 5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine is CCC1CNC(C2CC2)CN1Cc1ccc(C)cc1.
What is the InChIKey of 5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine?
The InChIKey is MCQACIIBJIMUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-16-10-18-17(15-8-9-15)12-19(16)11-14-6-4-13(2)5-7-14/h4-7,15-18H,3,8-12H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine?
5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine has a molecular weight of 258.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-ethyl-1-[(4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 64861828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).