1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine

C18H26F3N3O2S — CID 35317151

IUPAC1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESC[C@@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C18H26F3N3O2S/c1-15-3-2-8-24(13-15)27(25,26)23-11-9-22(10-12-23)14-16-4-6-17(7-5-16)18(19,20)21/h4-7,15H,2-3,8-14H2,1H3/t15-/m1/s1
InChIKeyRWUBHIOCMGDXRH-OAHLLOKOSA-N
MW405.49 g/mol
LogP2.80
Rot. Bonds4

About 1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine

1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 35317151) has the molecular formula C18H26F3N3O2S and a molecular weight of 405.49 g/mol. Its IUPAC name is 1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID35317151
Molecular FormulaC18H26F3N3O2S
Molecular Weight405.49 g/mol
Exact Mass405.17
IUPAC Name1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
SMILESC[C@@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C18H26F3N3O2S/c1-15-3-2-8-24(13-15)27(25,26)23-11-9-22(10-12-23)14-16-4-6-17(7-5-16)18(19,20)21/h4-7,15H,2-3,8-14H2,1H3/t15-/m1/s1
InChIKeyRWUBHIOCMGDXRH-OAHLLOKOSA-N
XLogP2.80
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.49
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-piperidin-1-ylsulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 78843482
3-methyl-5-[[4-[(3S)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 94021516
(1-methylsulfonylpyrrolidin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 55432841
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
1-(4-methoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 24556314
3,5-dimethyl-4-[[4-(3-methylpiperidin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 42960083
1-(4-benzylpiperidin-1-yl)sulfonyl-3-methylpiperidine
CID 75872723
(1-methylsulfonylpiperidin-4-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]methanone
CID 30893489
N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]cyclopropanesulfonamide
CID 154830019
1-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]sulfonylazepane
CID 18151864
1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 43503036
(3S)-1-(3-methylpiperidin-1-yl)sulfonylpiperidin-3-ol
CID 107225019

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine (CID 35317151) is 1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is C[C@@H]1CCCN(S(=O)(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1.
What is the InChIKey of 1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is RWUBHIOCMGDXRH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26F3N3O2S/c1-15-3-2-8-24(13-15)27(25,26)23-11-9-22(10-12-23)14-16-4-6-17(7-5-16)18(19,20)21/h4-7,15H,2-3,8-14H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine?
1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 405.49 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methylpiperidin-1-yl]sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 35317151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).