1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride

C15H26Cl2N2O — CID 20519338

IUPAC1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
SMILESCCC(C)N1CCN(c2ccc(OC)cc2)CC1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-4-13(2)16-9-11-17(12-10-16)14-5-7-15(18-3)8-6-14;;/h5-8,13H,4,9-12H2,1-3H3;2*1H
InChIKeyGHXSXULNPJQLFB-UHFFFAOYSA-N
MW321.29 g/mol
LogP3.46
Rot. Bonds4

About 1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride

1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride (PubChem CID 20519338) has the molecular formula C15H26Cl2N2O and a molecular weight of 321.29 g/mol. Its IUPAC name is 1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
PubChem CID20519338
Molecular FormulaC15H26Cl2N2O
Molecular Weight321.29 g/mol
Exact Mass320.14
IUPAC Name1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
SMILESCCC(C)N1CCN(c2ccc(OC)cc2)CC1.Cl.Cl
InChIInChI=1S/C15H24N2O.2ClH/c1-4-13(2)16-9-11-17(12-10-16)14-5-7-15(18-3)8-6-14;;/h5-8,13H,4,9-12H2,1-3H3;2*1H
InChIKeyGHXSXULNPJQLFB-UHFFFAOYSA-N
XLogP3.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-methoxyphenyl)piperazin-1-yl]butanethioamide
CID 60913997
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CID 20519340
1-(4-fluorophenyl)-4-[4-(4-methoxyphenyl)butan-2-yl]piperazine
CID 2846364
1-[(2S)-butan-2-yl]sulfonyl-4-(4-methoxyphenyl)piperazine
CID 97263321
1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
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N'-hydroxy-2-[4-(4-methoxyphenyl)piperazin-1-yl]butanimidamide
CID 76915531
1-(4-methoxyphenyl)-4-sulfanylpiperazine;propane
CID 142914389
2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
CID 16642461
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
1-(4-methoxyphenyl)-4-(1-pyridin-2-ylethyl)piperazine
CID 110454928
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride?
The IUPAC name of 1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride (CID 20519338) is 1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride?
The canonical SMILES for 1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride is CCC(C)N1CCN(c2ccc(OC)cc2)CC1.Cl.Cl.
What is the InChIKey of 1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride?
The InChIKey is GHXSXULNPJQLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.2ClH/c1-4-13(2)16-9-11-17(12-10-16)14-5-7-15(18-3)8-6-14;;/h5-8,13H,4,9-12H2,1-3H3;2*1H.
What are the key properties of 1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride?
1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride has a molecular weight of 321.29 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride is sourced from PubChem (CID 20519338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).