1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine

C18H30N2 — CID 64845546

IUPAC1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine
SMILESCC1CN(CCC(C)(C)C)C(C)(c2ccccc2)CN1
InChIInChI=1S/C18H30N2/c1-15-13-20(12-11-17(2,3)4)18(5,14-19-15)16-9-7-6-8-10-16/h6-10,15,19H,11-14H2,1-5H3
InChIKeyDXJAVRBFAKBKGN-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.63
Rot. Bonds3

About 1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine

1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine (PubChem CID 64845546) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine
PubChem CID64845546
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine
SMILESCC1CN(CCC(C)(C)C)C(C)(c2ccccc2)CN1
InChIInChI=1S/C18H30N2/c1-15-13-20(12-11-17(2,3)4)18(5,14-19-15)16-9-7-6-8-10-16/h6-10,15,19H,11-14H2,1-5H3
InChIKeyDXJAVRBFAKBKGN-UHFFFAOYSA-N
XLogP3.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.63
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)-2,5-dimethyl-2-phenylpiperazine?
The IUPAC name of 1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine (CID 64845546) is 1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine is CC1CN(CCC(C)(C)C)C(C)(c2ccccc2)CN1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine?
The InChIKey is DXJAVRBFAKBKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-15-13-20(12-11-17(2,3)4)18(5,14-19-15)16-9-7-6-8-10-16/h6-10,15,19H,11-14H2,1-5H3.
What are the key properties of 1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine?
1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-2,5-dimethyl-2-phenylpiperazine is sourced from PubChem (CID 64845546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).