1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine

C14H28N4O2S — CID 61243717

IUPAC1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine
SMILESO=S(=O)(N1CCNCC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H28N4O2S/c19-21(20,18-12-6-15-7-13-18)17-10-4-14(5-11-17)16-8-2-1-3-9-16/h14-15H,1-13H2
InChIKeyPBWKJZIKIPNUMP-UHFFFAOYSA-N
MW316.47 g/mol
LogP0.09
Rot. Bonds3

About 1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine

1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine (PubChem CID 61243717) has the molecular formula C14H28N4O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine
PubChem CID61243717
Molecular FormulaC14H28N4O2S
Molecular Weight316.47 g/mol
Exact Mass316.19
IUPAC Name1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine
SMILESO=S(=O)(N1CCNCC1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C14H28N4O2S/c19-21(20,18-12-6-15-7-13-18)17-10-4-14(5-11-17)16-8-2-1-3-9-16/h14-15H,1-13H2
InChIKeyPBWKJZIKIPNUMP-UHFFFAOYSA-N
XLogP0.09
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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molecular hydrogen;1-piperazin-1-ylsulfonylazepane;hydrochloride
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1-piperidin-4-ylpiperidine chloride
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3-(1,4-diazepan-1-ylsulfonyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
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4-pyrrolidin-1-ylpiperidine;hydrochloride
CID 45075209
1-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)piperidin-4-amine
CID 80553921
azane;1-piperidin-4-ylpiperidine;platinum(2+);dichloride
CID 10297684
1-azabicyclo[3.2.0]heptane;azepane
CID 57473310
4-(3-piperidin-1-ylpyrrolidin-1-yl)azepane
CID 63902936
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CID 118210284

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine?
The IUPAC name of 1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine (CID 61243717) is 1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine.
What is the SMILES notation for 1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine?
The canonical SMILES for 1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine is O=S(=O)(N1CCNCC1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine?
The InChIKey is PBWKJZIKIPNUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2S/c19-21(20,18-12-6-15-7-13-18)17-10-4-14(5-11-17)16-8-2-1-3-9-16/h14-15H,1-13H2.
What are the key properties of 1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine?
1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine has a molecular weight of 316.47 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpiperazine is sourced from PubChem (CID 61243717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).