1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride

C17H37Cl3N4O2S — CID 66754977

IUPAC1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride
SMILESCN1CCC(N2CCN(S(=O)(=O)CCC[C@@H]3CCCN3)CC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H34N4O2S.3ClH/c1-19-9-6-17(7-10-19)20-11-13-21(14-12-20)24(22,23)15-3-5-16-4-2-8-18-16;;;/h16-18H,2-15H2,1H3;3*1H/t16-;;;/m0.../s1
InChIKeyQGQLQEPZNHJUEV-OKUPDQQSSA-N
MW467.94 g/mol
LogP1.83
Rot. Bonds6

About 1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride

1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride (PubChem CID 66754977) has the molecular formula C17H37Cl3N4O2S and a molecular weight of 467.94 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride
PubChem CID66754977
Molecular FormulaC17H37Cl3N4O2S
Molecular Weight467.94 g/mol
Exact Mass466.17
IUPAC Name1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride
SMILESCN1CCC(N2CCN(S(=O)(=O)CCC[C@@H]3CCCN3)CC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C17H34N4O2S.3ClH/c1-19-9-6-17(7-10-19)20-11-13-21(14-12-20)24(22,23)15-3-5-16-4-2-8-18-16;;;/h16-18H,2-15H2,1H3;3*1H/t16-;;;/m0.../s1
InChIKeyQGQLQEPZNHJUEV-OKUPDQQSSA-N
XLogP1.83
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.94
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride with MolForge

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Related Compounds

2-Butyl-4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-1,2-thiazolidine 1,1-dioxide
CID 51359857
1-(3-amino-5-fluoro-2-hexylpiperidin-4-yl)-N,N-dimethylpiperidine-4-sulfonamide
CID 134321932
1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine
CID 59367722
1-(1-Methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine;trihydrochloride
CID 66754978
1-(1-Methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine
CID 66754979
(S)-1-(1-Methylpiperidin-4-yl)-4-(3-(pyrrolidin-2-yl)propylsulfonyl)piperazine hydrochloride
CID 66755244
1-(1-Methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfonyl)piperazine;hydrochloride
CID 66755245
1-(1-Methylpiperidin-4-yl)-4-[3-(1-methylpyrrolidin-2-yl)propylsulfonyl]piperazine
CID 91267630
N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylbutane-1-sulfonamide
CID 118527469
N-(2-piperazin-1-ylethyl)-N-piperidin-4-ylpropane-1-sulfonamide
CID 123818711
Ethane;1-(1-methylpiperidin-4-yl)-4-(3-pyrrolidin-2-ylpropylsulfanyl)piperazine
CID 143985779
N-[3-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propyl]propane-2-sulfonamide
CID 172298107

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride (CID 66754977) is 1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride is CN1CCC(N2CCN(S(=O)(=O)CCC[C@@H]3CCCN3)CC2)CC1.Cl.Cl.Cl.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride?
The InChIKey is QGQLQEPZNHJUEV-OKUPDQQSSA-N. The full InChI is InChI=1S/C17H34N4O2S.3ClH/c1-19-9-6-17(7-10-19)20-11-13-21(14-12-20)24(22,23)15-3-5-16-4-2-8-18-16;;;/h16-18H,2-15H2,1H3;3*1H/t16-;;;/m0.../s1.
What are the key properties of 1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride?
1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride has a molecular weight of 467.94 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-4-[3-[(2S)-pyrrolidin-2-yl]propylsulfonyl]piperazine;trihydrochloride is sourced from PubChem (CID 66754977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).