1-methyl-4-(1-piperidin-4-ylprop-2-enylsulfonyl)piperazine;hydrochloride

C13H26ClN3O2S — CID 174682344

IUPAC1-methyl-4-(1-piperidin-4-ylprop-2-enylsulfonyl)piperazine;hydrochloride
SMILESC=CC(C1CCNCC1)S(=O)(=O)N1CCN(C)CC1.Cl
InChIInChI=1S/C13H25N3O2S.ClH/c1-3-13(12-4-6-14-7-5-12)19(17,18)16-10-8-15(2)9-11-16;/h3,12-14H,1,4-11H2,2H3;1H
InChIKeyZYIPFKJSNJRCDS-UHFFFAOYSA-N
MW323.89 g/mol
LogP0.54
Rot. Bonds4

About 1-methyl-4-(1-piperidin-4-ylprop-2-enylsulfonyl)piperazine;hydrochloride

1-methyl-4-(1-piperidin-4-ylprop-2-enylsulfonyl)piperazine;hydrochloride (PubChem CID 174682344) has the molecular formula C13H26ClN3O2S and a molecular weight of 323.89 g/mol. Its IUPAC name is 1-methyl-4-(1-piperidin-4-ylprop-2-enylsulfonyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-methyl-4-(1-piperidin-4-ylprop-2-enylsulfonyl)piperazine;hydrochloride
PubChem CID174682344
Molecular FormulaC13H26ClN3O2S
Molecular Weight323.89 g/mol
Exact Mass323.14
IUPAC Name1-methyl-4-(1-piperidin-4-ylprop-2-enylsulfonyl)piperazine;hydrochloride
SMILESC=CC(C1CCNCC1)S(=O)(=O)N1CCN(C)CC1.Cl
InChIInChI=1S/C13H25N3O2S.ClH/c1-3-13(12-4-6-14-7-5-12)19(17,18)16-10-8-15(2)9-11-16;/h3,12-14H,1,4-11H2,2H3;1H
InChIKeyZYIPFKJSNJRCDS-UHFFFAOYSA-N
XLogP0.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-piperidin-4-ylprop-2-enylsulfonyl)piperazine;hydrochloride?
The IUPAC name of 1-methyl-4-(1-piperidin-4-ylprop-2-enylsulfonyl)piperazine;hydrochloride (CID 174682344) is 1-methyl-4-(1-piperidin-4-ylprop-2-enylsulfonyl)piperazine;hydrochloride.
What is the SMILES notation for 1-methyl-4-(1-piperidin-4-ylprop-2-enylsulfonyl)piperazine;hydrochloride?
The canonical SMILES for 1-methyl-4-(1-piperidin-4-ylprop-2-enylsulfonyl)piperazine;hydrochloride is C=CC(C1CCNCC1)S(=O)(=O)N1CCN(C)CC1.Cl.
What is the InChIKey of 1-methyl-4-(1-piperidin-4-ylprop-2-enylsulfonyl)piperazine;hydrochloride?
The InChIKey is ZYIPFKJSNJRCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S.ClH/c1-3-13(12-4-6-14-7-5-12)19(17,18)16-10-8-15(2)9-11-16;/h3,12-14H,1,4-11H2,2H3;1H.
What are the key properties of 1-methyl-4-(1-piperidin-4-ylprop-2-enylsulfonyl)piperazine;hydrochloride?
1-methyl-4-(1-piperidin-4-ylprop-2-enylsulfonyl)piperazine;hydrochloride has a molecular weight of 323.89 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-piperidin-4-ylprop-2-enylsulfonyl)piperazine;hydrochloride is sourced from PubChem (CID 174682344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).