(3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine

C18H26ClFN2O2S — CID 92865667

IUPAC(3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
SMILESC[C@@H]1CCCN(CC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1
InChIInChI=1S/C18H26ClFN2O2S/c1-14-3-2-8-21(12-14)13-15-6-9-22(10-7-15)25(23,24)16-4-5-18(20)17(19)11-16/h4-5,11,14-15H,2-3,6-10,12-13H2,1H3/t14-/m1/s1
InChIKeyGAMKHFVKJDDGCN-CQSZACIVSA-N
MW388.94 g/mol
LogP3.61
Rot. Bonds4

About (3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine

(3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine (PubChem CID 92865667) has the molecular formula C18H26ClFN2O2S and a molecular weight of 388.94 g/mol. Its IUPAC name is (3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine.

Molecular Properties

Compound Name(3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
PubChem CID92865667
Molecular FormulaC18H26ClFN2O2S
Molecular Weight388.94 g/mol
Exact Mass388.14
IUPAC Name(3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
SMILESC[C@@H]1CCCN(CC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1
InChIInChI=1S/C18H26ClFN2O2S/c1-14-3-2-8-21(12-14)13-15-6-9-22(10-7-15)25(23,24)16-4-5-18(20)17(19)11-16/h4-5,11,14-15H,2-3,6-10,12-13H2,1H3/t14-/m1/s1
InChIKeyGAMKHFVKJDDGCN-CQSZACIVSA-N
XLogP3.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.94
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287400
(3R)-1-[[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 92865653
1-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287394
(3R)-3-methyl-1-[[1-(3-methylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 92865689
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
1-[[1-(3,5-dimethylphenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine
CID 46287422
4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 60540053
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030275
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372226
1-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264060
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
(3R)-3-methyl-1-[[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methyl]piperidine
CID 92865643

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
The IUPAC name of (3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine (CID 92865667) is (3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine.
What is the SMILES notation for (3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
The canonical SMILES for (3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine is C[C@@H]1CCCN(CC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1.
What is the InChIKey of (3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
The InChIKey is GAMKHFVKJDDGCN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26ClFN2O2S/c1-14-3-2-8-21(12-14)13-15-6-9-22(10-7-15)25(23,24)16-4-5-18(20)17(19)11-16/h4-5,11,14-15H,2-3,6-10,12-13H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine?
(3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine has a molecular weight of 388.94 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-3-methylpiperidine is sourced from PubChem (CID 92865667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).