1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine

C16H26N2 — CID 64925313

IUPAC1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine
SMILESCC(C)(C)CN1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-15(2,3)12-18-11-10-17-16(4,13-18)14-8-6-5-7-9-14/h5-9,17H,10-13H2,1-4H3
InChIKeyHQKDRIVFMQYNDD-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.85
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine

1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine (PubChem CID 64925313) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine
PubChem CID64925313
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine
SMILESCC(C)(C)CN1CCNC(C)(c2ccccc2)C1
InChIInChI=1S/C16H26N2/c1-15(2,3)12-18-11-10-17-16(4,13-18)14-8-6-5-7-9-14/h5-9,17H,10-13H2,1-4H3
InChIKeyHQKDRIVFMQYNDD-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine (CID 64925313) is 1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine is CC(C)(C)CN1CCNC(C)(c2ccccc2)C1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine?
The InChIKey is HQKDRIVFMQYNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-15(2,3)12-18-11-10-17-16(4,13-18)14-8-6-5-7-9-14/h5-9,17H,10-13H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine?
1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine has a molecular weight of 246.40 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-methyl-3-phenylpiperazine is sourced from PubChem (CID 64925313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).