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

C18H28N2 — CID 64842290

IUPAC2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CC(C)(C)NCC2(C)C2CC2)cc1
InChIInChI=1S/C18H28N2/c1-14-5-7-15(8-6-14)11-20-13-17(2,3)19-12-18(20,4)16-9-10-16/h5-8,16,19H,9-13H2,1-4H3
InChIKeyRTCXVHJVUPLMJI-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.35
Rot. Bonds3

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

2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine (PubChem CID 64842290) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine
PubChem CID64842290
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine
SMILESCc1ccc(CN2CC(C)(C)NCC2(C)C2CC2)cc1
InChIInChI=1S/C18H28N2/c1-14-5-7-15(8-6-14)11-20-13-17(2,3)19-12-18(20,4)16-9-10-16/h5-8,16,19H,9-13H2,1-4H3
InChIKeyRTCXVHJVUPLMJI-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-[(3,5-difluorophenyl)methyl]-2,5,5-trimethylpiperazine
CID 105409991
2-cyclopropyl-2,5,5-trimethyl-1-(thiophen-2-ylmethyl)piperazine
CID 64840931
1-[(2-chloro-6-fluorophenyl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine
CID 64843838
1-[(4-bromothiophen-2-yl)methyl]-2-cyclopropyl-2,5,5-trimethylpiperazine
CID 64841899
2-cyclopropyl-1-[(4-iodophenyl)methyl]-2-methylpiperazine
CID 65491560
3,3,7-trimethyl-1-[(4-methylphenyl)methyl]-1,4-diazepane
CID 64869807
1-[(4-chlorophenyl)methyl]-2-cyclopropyl-5-ethyl-2-methylpiperazine
CID 64842191
2-cyclopropyl-2,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]piperazine
CID 64844959
2-cyclopropyl-2-methyl-1-[(3-methylphenyl)methyl]piperazine
CID 64845825
1-[(4-chlorophenyl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine
CID 64878272
5-cyclopropyl-1-[(4-fluorophenyl)methyl]-2,2,5-trimethylpiperazine
CID 64878267
2-cyclopropyl-2,5,5-trimethyl-1-(4,4,4-trifluorobutyl)piperazine
CID 115518869

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine?
The IUPAC name of 2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine (CID 64842290) is 2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine.
What is the SMILES notation for 2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine?
The canonical SMILES for 2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine is Cc1ccc(CN2CC(C)(C)NCC2(C)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine?
The InChIKey is RTCXVHJVUPLMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-5-7-15(8-6-14)11-20-13-17(2,3)19-12-18(20,4)16-9-10-16/h5-8,16,19H,9-13H2,1-4H3.
What are the key properties of 2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine?
2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2,5,5-trimethyl-1-[(4-methylphenyl)methyl]piperazine is sourced from PubChem (CID 64842290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).