1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine

C19H32N2 — CID 64878048

IUPAC1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine
SMILESCCC1(C)CNC(c2ccccc2)CN1CCC(C)(C)C
InChIInChI=1S/C19H32N2/c1-6-19(5)15-20-17(16-10-8-7-9-11-16)14-21(19)13-12-18(2,3)4/h7-11,17,20H,6,12-15H2,1-5H3
InChIKeyKTAUNQMLYGYVCO-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.24
Rot. Bonds4

About 1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine

1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine (PubChem CID 64878048) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine
PubChem CID64878048
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine
SMILESCCC1(C)CNC(c2ccccc2)CN1CCC(C)(C)C
InChIInChI=1S/C19H32N2/c1-6-19(5)15-20-17(16-10-8-7-9-11-16)14-21(19)13-12-18(2,3)4/h7-11,17,20H,6,12-15H2,1-5H3
InChIKeyKTAUNQMLYGYVCO-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine?
The IUPAC name of 1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine (CID 64878048) is 1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine is CCC1(C)CNC(c2ccccc2)CN1CCC(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine?
The InChIKey is KTAUNQMLYGYVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-6-19(5)15-20-17(16-10-8-7-9-11-16)14-21(19)13-12-18(2,3)4/h7-11,17,20H,6,12-15H2,1-5H3.
What are the key properties of 1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine?
1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-2-ethyl-2-methyl-5-phenylpiperazine is sourced from PubChem (CID 64878048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).