1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine

C13H27N3O2S — CID 141053770

IUPAC1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine
SMILESCN1CCN(S(=O)(=O)CCCN2CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-14-9-11-16(12-10-14)19(17,18)13-5-8-15-6-3-2-4-7-15/h2-13H2,1H3
InChIKeyLUOYFRPSJZKJFJ-UHFFFAOYSA-N
MW289.44 g/mol
LogP0.44
Rot. Bonds5

About 1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine

1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine (PubChem CID 141053770) has the molecular formula C13H27N3O2S and a molecular weight of 289.44 g/mol. Its IUPAC name is 1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine
PubChem CID141053770
Molecular FormulaC13H27N3O2S
Molecular Weight289.44 g/mol
Exact Mass289.18
IUPAC Name1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine
SMILESCN1CCN(S(=O)(=O)CCCN2CCCCC2)CC1
InChIInChI=1S/C13H27N3O2S/c1-14-9-11-16(12-10-14)19(17,18)13-5-8-15-6-3-2-4-7-15/h2-13H2,1H3
InChIKeyLUOYFRPSJZKJFJ-UHFFFAOYSA-N
XLogP0.44
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 90877511
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CID 54547768
6-(4-methylpiperazin-1-yl)sulfonylhexan-1-amine
CID 67176093
1-pentyl-4-pentylsulfonylpiperazine
CID 86969430
1-(6-piperidin-1-ylsulfonylhexylsulfonyl)piperidine
CID 4599987
3-(azocan-1-yl)propane-1-sulfonyl chloride
CID 112594604
1-butylsulfonyl-4-(2-chloroethyl)-1,4-diazepane
CID 63397592
1-(2-methylsulfonylethylsulfonyl)azepane
CID 64592112
3-[4-(3-methoxypropylsulfonyl)-1,4-diazepan-1-yl]propan-1-amine
CID 63289792
1-[3-(1,3-dioxolan-2-yl)propylsulfonyl]-4-methylpiperazine
CID 86743747
N-[3-(azepan-1-yl)propyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969584

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine?
The IUPAC name of 1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine (CID 141053770) is 1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine.
What is the SMILES notation for 1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine?
The canonical SMILES for 1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine is CN1CCN(S(=O)(=O)CCCN2CCCCC2)CC1.
What is the InChIKey of 1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine?
The InChIKey is LUOYFRPSJZKJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2S/c1-14-9-11-16(12-10-14)19(17,18)13-5-8-15-6-3-2-4-7-15/h2-13H2,1H3.
What are the key properties of 1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine?
1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine has a molecular weight of 289.44 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-piperidin-1-ylpropylsulfonyl)piperazine is sourced from PubChem (CID 141053770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).