1-tert-butyl-4-propylpiperazine

C11H24N2 — CID 58721754

IUPAC1-tert-butyl-4-propylpiperazine
SMILESCCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H24N2/c1-5-6-12-7-9-13(10-8-12)11(2,3)4/h5-10H2,1-4H3
InChIKeyIBCHVKVDUBWEBN-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.81
Rot. Bonds2

About 1-tert-butyl-4-propylpiperazine

1-tert-butyl-4-propylpiperazine (PubChem CID 58721754) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 1-tert-butyl-4-propylpiperazine.

Molecular Properties

Compound Name1-tert-butyl-4-propylpiperazine
PubChem CID58721754
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name1-tert-butyl-4-propylpiperazine
SMILESCCCN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C11H24N2/c1-5-6-12-7-9-13(10-8-12)11(2,3)4/h5-10H2,1-4H3
InChIKeyIBCHVKVDUBWEBN-UHFFFAOYSA-N
XLogP1.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpentan-2-yl)-4-propylpiperazine
CID 170790911
1-tert-butyl-4-[2-(2-propoxyethoxy)ethyl]piperazine
CID 166875795
[4-(4-tert-butylpiperazin-1-yl)-1-propylpiperidin-4-yl]methanamine
CID 61430079
1-tert-butyl-4-(3,3,3-trifluoropropyl)piperazine
CID 59520016
1-tert-butyl-4-(2-piperazin-1-ylethyl)piperazine
CID 54983611
1-tert-butyl-4-methylpiperazine;propane
CID 159466011
1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine
CID 155215089
1-tert-butyl-4-(fluoromethyl)piperazine
CID 171581155
3-(4-tert-butylpiperazin-1-yl)-N-methylpropan-1-amine
CID 61430977
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine
CID 166875797
N-[2-[2-[2-[2-(4-tert-butylpiperazin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 167191561

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propylpiperazine?
The IUPAC name of 1-tert-butyl-4-propylpiperazine (CID 58721754) is 1-tert-butyl-4-propylpiperazine.
What is the SMILES notation for 1-tert-butyl-4-propylpiperazine?
The canonical SMILES for 1-tert-butyl-4-propylpiperazine is CCCN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-propylpiperazine?
The InChIKey is IBCHVKVDUBWEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-5-6-12-7-9-13(10-8-12)11(2,3)4/h5-10H2,1-4H3.
What are the key properties of 1-tert-butyl-4-propylpiperazine?
1-tert-butyl-4-propylpiperazine has a molecular weight of 184.33 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-propylpiperazine is sourced from PubChem (CID 58721754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).