4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine

C22H28F3N5O2S — CID 122333431

IUPAC4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C22H28F3N5O2S/c1-17-15-20(28-9-3-2-4-10-28)27-21(26-17)29-11-13-30(14-12-29)33(31,32)16-18-5-7-19(8-6-18)22(23,24)25/h5-8,15H,2-4,9-14,16H2,1H3
InChIKeyZFGBDFVBUAWVJY-UHFFFAOYSA-N
MW483.56 g/mol
LogP3.45
Rot. Bonds5

About 4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine

4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine (PubChem CID 122333431) has the molecular formula C22H28F3N5O2S and a molecular weight of 483.56 g/mol. Its IUPAC name is 4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine
PubChem CID122333431
Molecular FormulaC22H28F3N5O2S
Molecular Weight483.56 g/mol
Exact Mass483.19
IUPAC Name4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine
SMILESCc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C22H28F3N5O2S/c1-17-15-20(28-9-3-2-4-10-28)27-21(26-17)29-11-13-30(14-12-29)33(31,32)16-18-5-7-19(8-6-18)22(23,24)25/h5-8,15H,2-4,9-14,16H2,1H3
InChIKeyZFGBDFVBUAWVJY-UHFFFAOYSA-N
XLogP3.45
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339872
4-methyl-6-[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-2-piperidin-1-ylpyrimidine
CID 122339896
2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333164
N,N,6-trimethyl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidin-4-amine
CID 122332930
3-piperidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazine
CID 122334794
3-pyrrolidin-1-yl-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyridazine
CID 122334505
4-methyl-2-piperidin-1-yl-6-[4-(3,3,3-trifluoropropylsulfonyl)piperazin-1-yl]pyrimidine
CID 122339903
2-methyl-4-(4-methylpiperazin-1-yl)-6-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine
CID 122341200
[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 27477571
2-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333171
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122352554
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122296026

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine (CID 122333431) is 4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine is Cc1cc(N2CCCCC2)nc(N2CCN(S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)CC2)n1.
What is the InChIKey of 4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine?
The InChIKey is ZFGBDFVBUAWVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N5O2S/c1-17-15-20(28-9-3-2-4-10-28)27-21(26-17)29-11-13-30(14-12-29)33(31,32)16-18-5-7-19(8-6-18)22(23,24)25/h5-8,15H,2-4,9-14,16H2,1H3.
What are the key properties of 4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine?
4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine has a molecular weight of 483.56 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-piperidin-1-yl-2-[4-[[4-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 122333431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).