1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine

C16H34N2 — CID 64832139

IUPAC1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine
SMILESCCCC1CNC(C(C)C)CN1CCC(C)(C)C
InChIInChI=1S/C16H34N2/c1-7-8-14-11-17-15(13(2)3)12-18(14)10-9-16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyKLTBSYTXDDLNIJ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds5

About 1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine

1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine (PubChem CID 64832139) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine
PubChem CID64832139
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine
SMILESCCCC1CNC(C(C)C)CN1CCC(C)(C)C
InChIInChI=1S/C16H34N2/c1-7-8-14-11-17-15(13(2)3)12-18(14)10-9-16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyKLTBSYTXDDLNIJ-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
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)-5-propan-2-yl-2-propylpiperazine?
The IUPAC name of 1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine (CID 64832139) is 1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine is CCCC1CNC(C(C)C)CN1CCC(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine?
The InChIKey is KLTBSYTXDDLNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-8-14-11-17-15(13(2)3)12-18(14)10-9-16(4,5)6/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine?
1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine is sourced from PubChem (CID 64832139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).