1-butyl-4-(2,3-dimethoxypropyl)piperazine

C13H28N2O2 — CID 156812562

IUPAC1-butyl-4-(2,3-dimethoxypropyl)piperazine
SMILESCCCCN1CCN(CC(COC)OC)CC1
InChIInChI=1S/C13H28N2O2/c1-4-5-6-14-7-9-15(10-8-14)11-13(17-3)12-16-2/h13H,4-12H2,1-3H3
InChIKeyFQFWEKXGEMKYOL-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.07
Rot. Bonds8

About 1-butyl-4-(2,3-dimethoxypropyl)piperazine

1-butyl-4-(2,3-dimethoxypropyl)piperazine (PubChem CID 156812562) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-butyl-4-(2,3-dimethoxypropyl)piperazine.

Molecular Properties

Compound Name1-butyl-4-(2,3-dimethoxypropyl)piperazine
PubChem CID156812562
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-butyl-4-(2,3-dimethoxypropyl)piperazine
SMILESCCCCN1CCN(CC(COC)OC)CC1
InChIInChI=1S/C13H28N2O2/c1-4-5-6-14-7-9-15(10-8-14)11-13(17-3)12-16-2/h13H,4-12H2,1-3H3
InChIKeyFQFWEKXGEMKYOL-UHFFFAOYSA-N
XLogP1.07
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6R)-6-(methoxymethyl)decyl]-4-methylpiperazine
CID 118890154
1-[(2R)-2,3-dimethoxypropyl]-4-phenylpiperazine
CID 95561199
O-[2-(4-butylpiperazin-1-yl)ethyl]hydroxylamine
CID 168901441
1-(4-butylpiperazin-1-yl)pentan-2-amine
CID 102550775
2-chloro-10-[3-[4-[3-[3-(2,3-dimethoxypropoxy)-2-methoxypropoxy]-2-methoxypropyl]piperazin-1-yl]propyl]phenothiazine
CID 130178291
1-[2-methoxy-3-[2-methoxy-3-(1,4,7,10-tetrazacyclododec-1-yl)propoxy]propyl]-1,4,7,10-tetrazacyclododecane
CID 18924355
1-butoxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 16958263
4-[(6R)-6-methoxydecyl]thiomorpholine
CID 118890209
1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 107263711
1-butyl-4-(5-ethoxypentyl)piperazine
CID 142365630
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(2,3-dimethoxypropyl)piperazine?
The IUPAC name of 1-butyl-4-(2,3-dimethoxypropyl)piperazine (CID 156812562) is 1-butyl-4-(2,3-dimethoxypropyl)piperazine.
What is the SMILES notation for 1-butyl-4-(2,3-dimethoxypropyl)piperazine?
The canonical SMILES for 1-butyl-4-(2,3-dimethoxypropyl)piperazine is CCCCN1CCN(CC(COC)OC)CC1.
What is the InChIKey of 1-butyl-4-(2,3-dimethoxypropyl)piperazine?
The InChIKey is FQFWEKXGEMKYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-5-6-14-7-9-15(10-8-14)11-13(17-3)12-16-2/h13H,4-12H2,1-3H3.
What are the key properties of 1-butyl-4-(2,3-dimethoxypropyl)piperazine?
1-butyl-4-(2,3-dimethoxypropyl)piperazine has a molecular weight of 244.38 g/mol, XLogP of 1.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(2,3-dimethoxypropyl)piperazine is sourced from PubChem (CID 156812562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).