2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine

C18H30N2O — CID 115943657

IUPAC2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine
SMILESCC(C)(C)OCCN1CC(c2ccccc2)NCC1(C)C
InChIInChI=1S/C18H30N2O/c1-17(2,3)21-12-11-20-13-16(19-14-18(20,4)5)15-9-7-6-8-10-15/h6-10,16,19H,11-14H2,1-5H3
InChIKeyFCZSZKHFAQPQOF-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.23
Rot. Bonds4

About 2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine

2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine (PubChem CID 115943657) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine.

Molecular Properties

Compound Name2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine
PubChem CID115943657
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine
SMILESCC(C)(C)OCCN1CC(c2ccccc2)NCC1(C)C
InChIInChI=1S/C18H30N2O/c1-17(2,3)21-12-11-20-13-16(19-14-18(20,4)5)15-9-7-6-8-10-15/h6-10,16,19H,11-14H2,1-5H3
InChIKeyFCZSZKHFAQPQOF-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-tert-butyl-2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592078
2-[(2,2-dimethyl-5-phenylpiperazin-1-yl)methyl]pyrimidine
CID 64877661
2,2-dimethyl-5-phenyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64877853
2,2-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-5-phenylpiperazine
CID 64876319
1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine
CID 64878048
2,2,5-trimethyl-1-(2-phenoxyethyl)piperazine
CID 64844519
2,2-dimethyl-5-phenyl-1-propan-2-ylpiperazine
CID 64877470
2,2,5,5-tetramethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592059
1-(2,2-dimethyl-5-phenylpiperazin-1-yl)-2-methoxyethanone
CID 82246368
2-cyclopropyl-2-methyl-1-pentyl-5-phenylpiperazine
CID 64876131
2-ethyl-1-(2-ethylbutyl)-2-methyl-5-phenylpiperazine
CID 82926530
1-(cyclopentylmethyl)-2-ethyl-2-methyl-5-phenylpiperazine
CID 64876896

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine?
The IUPAC name of 2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine (CID 115943657) is 2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine.
What is the SMILES notation for 2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine?
The canonical SMILES for 2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine is CC(C)(C)OCCN1CC(c2ccccc2)NCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine?
The InChIKey is FCZSZKHFAQPQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-17(2,3)21-12-11-20-13-16(19-14-18(20,4)5)15-9-7-6-8-10-15/h6-10,16,19H,11-14H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine?
2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine has a molecular weight of 290.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-5-phenylpiperazine is sourced from PubChem (CID 115943657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).