1-[3-(3-methylbutoxy)propyl]-4-propylpiperazine

C15H32N2O — CID 178164802

IUPAC1-[3-(3-methylbutoxy)propyl]-4-propylpiperazine
SMILESCCCN1CCN(CCCOCCC(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-4-7-16-9-11-17(12-10-16)8-5-13-18-14-6-15(2)3/h15H,4-14H2,1-3H3
InChIKeyHIDBGGHEAQYGSP-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.47
Rot. Bonds9

About 1-[3-(3-methylbutoxy)propyl]-4-propylpiperazine

1-[3-(3-methylbutoxy)propyl]-4-propylpiperazine (PubChem CID 178164802) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 1-[3-(3-methylbutoxy)propyl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[3-(3-methylbutoxy)propyl]-4-propylpiperazine
PubChem CID178164802
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name1-[3-(3-methylbutoxy)propyl]-4-propylpiperazine
SMILESCCCN1CCN(CCCOCCC(C)C)CC1
InChIInChI=1S/C15H32N2O/c1-4-7-16-9-11-17(12-10-16)8-5-13-18-14-6-15(2)3/h15H,4-14H2,1-3H3
InChIKeyHIDBGGHEAQYGSP-UHFFFAOYSA-N
XLogP2.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-Methoxypropyl)-4-methylpiperazine
CID 20426849
1-Ethyl-4-(3-methoxypropyl)piperazine
CID 20426852
1-(3-Ethoxypropyl)-4-methylpiperazine
CID 20426854
1-(3-Ethoxypropyl)-4-(3-methoxypropyl)piperazine
CID 20426860
1,4-Bis(3-propoxypropyl)piperazine
CID 54014571
1-(3-Methoxypropyl)-4-propylpiperazine
CID 54119918
2-methyl-1-(2-methylbutoxy)butane;N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 54515766
CID 57585211
CID 57585211
1-Methyl-4-[3-[(2-methylpropan-2-yl)oxy]propyl]piperazine
CID 58801323
N,N-dimethyl-2-(4-methylpiperazin-1-yl)ethanamine;3-methoxy-N,N-dimethylpropan-1-amine
CID 69971095
1-Methyl-4-(oxolan-3-ylmethyl)piperazine
CID 91328326
1-Methyl-4-(oxetan-3-ylmethyl)piperazine
CID 124200347

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methylbutoxy)propyl]-4-propylpiperazine?
The IUPAC name of 1-[3-(3-methylbutoxy)propyl]-4-propylpiperazine (CID 178164802) is 1-[3-(3-methylbutoxy)propyl]-4-propylpiperazine.
What is the SMILES notation for 1-[3-(3-methylbutoxy)propyl]-4-propylpiperazine?
The canonical SMILES for 1-[3-(3-methylbutoxy)propyl]-4-propylpiperazine is CCCN1CCN(CCCOCCC(C)C)CC1.
What is the InChIKey of 1-[3-(3-methylbutoxy)propyl]-4-propylpiperazine?
The InChIKey is HIDBGGHEAQYGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-7-16-9-11-17(12-10-16)8-5-13-18-14-6-15(2)3/h15H,4-14H2,1-3H3.
What are the key properties of 1-[3-(3-methylbutoxy)propyl]-4-propylpiperazine?
1-[3-(3-methylbutoxy)propyl]-4-propylpiperazine has a molecular weight of 256.43 g/mol, XLogP of 2.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methylbutoxy)propyl]-4-propylpiperazine is sourced from PubChem (CID 178164802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).