2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine

C16H26N2 — CID 64860009

IUPAC2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CC(C)(c2ccccc2)NCC1(C)C
InChIInChI=1S/C16H26N2/c1-13(2)18-12-16(5,17-11-15(18,3)4)14-9-7-6-8-10-14/h6-10,13,17H,11-12H2,1-5H3
InChIKeyLVQUPJLQFJVWSU-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.99
Rot. Bonds2

About 2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine

2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine (PubChem CID 64860009) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine.

Molecular Properties

Compound Name2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine
PubChem CID64860009
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine
SMILESCC(C)N1CC(C)(c2ccccc2)NCC1(C)C
InChIInChI=1S/C16H26N2/c1-13(2)18-12-16(5,17-11-15(18,3)4)14-9-7-6-8-10-14/h6-10,13,17H,11-12H2,1-5H3
InChIKeyLVQUPJLQFJVWSU-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine
CID 83149537
1-(cyclobutylmethyl)-2,2,5-trimethyl-5-phenylpiperazine
CID 65462888
2,2,5-trimethyl-5-phenyl-1-(thiophen-2-ylmethyl)piperazine
CID 64862496
1-(4-methoxybutyl)-2,2,5-trimethyl-5-phenylpiperazine
CID 104650316
4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride
CID 115039892
2-cyclopropyl-1,2,5-trimethyl-5-phenylpiperazine
CID 64860583
1,3-dimethyl-3-phenyl-1,4-diazaspiro[5.5]undecane
CID 64862518
2,5-dimethyl-5-phenyl-2-propan-2-ylmorpholine
CID 105058753
1-(3,3-dimethylbutan-2-yl)-3-methyl-3-phenyl-1,4-diazepane
CID 104830168
3-methyl-3-phenyl-1-(1-phenylethyl)piperazine
CID 64926177
2-methyl-2-phenyl-1-propan-2-ylpiperazine
CID 64845830
2,2-dimethyl-5-phenyl-1-propan-2-ylpiperazine
CID 64877470

Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine?
The IUPAC name of 2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine (CID 64860009) is 2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine.
What is the SMILES notation for 2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine?
The canonical SMILES for 2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine is CC(C)N1CC(C)(c2ccccc2)NCC1(C)C.
What is the InChIKey of 2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine?
The InChIKey is LVQUPJLQFJVWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)18-12-16(5,17-11-15(18,3)4)14-9-7-6-8-10-14/h6-10,13,17H,11-12H2,1-5H3.
What are the key properties of 2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine?
2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine has a molecular weight of 246.40 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-5-phenyl-1-propan-2-ylpiperazine is sourced from PubChem (CID 64860009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).