1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride

C16H24ClF2N3O2S — CID 119929786

IUPAC1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(F)cc1F)N1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C16H23F2N3O2S.ClH/c17-14-3-4-16(15(18)10-14)24(22,23)21-8-6-20(7-9-21)12-13-2-1-5-19-11-13;/h3-4,10,13,19H,1-2,5-9,11-12H2;1H
InChIKeyUOAPFSZFIQYALQ-UHFFFAOYSA-N
MW395.90 g/mol
LogP1.69
Rot. Bonds4

About 1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride

1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride (PubChem CID 119929786) has the molecular formula C16H24ClF2N3O2S and a molecular weight of 395.90 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride
PubChem CID119929786
Molecular FormulaC16H24ClF2N3O2S
Molecular Weight395.90 g/mol
Exact Mass395.12
IUPAC Name1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc(F)cc1F)N1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C16H23F2N3O2S.ClH/c17-14-3-4-16(15(18)10-14)24(22,23)21-8-6-20(7-9-21)12-13-2-1-5-19-11-13;/h3-4,10,13,19H,1-2,5-9,11-12H2;1H
InChIKeyUOAPFSZFIQYALQ-UHFFFAOYSA-N
XLogP1.69
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.90
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(piperidin-3-ylmethyl)piperazin-1-yl]sulfonyl-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene
CID 119929661
4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 119930553
2-cyclopentyl-1-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 9302375
(2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone
CID 119930632
(3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930083
1-(cyclopropylmethyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 61046329
1-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]-N-methylmethanamine
CID 63248386
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
1-(2,4-difluorophenyl)sulfonyl-4-methylsulfonylpiperazine
CID 19684016
1-(2,4-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine;hydrochloride
CID 119979918
2-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 8771330
1-(2-adamantyl)-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 22202137

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride (CID 119929786) is 1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride is Cl.O=S(=O)(c1ccc(F)cc1F)N1CCN(CC2CCCNC2)CC1.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride?
The InChIKey is UOAPFSZFIQYALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3O2S.ClH/c17-14-3-4-16(15(18)10-14)24(22,23)21-8-6-20(7-9-21)12-13-2-1-5-19-11-13;/h3-4,10,13,19H,1-2,5-9,11-12H2;1H.
What are the key properties of 1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride?
1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride has a molecular weight of 395.90 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride is sourced from PubChem (CID 119929786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).