4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine

C20H26FN5O2S — CID 122343153

IUPAC4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine
SMILESO=S(=O)(Cc1ccccc1F)N1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C20H26FN5O2S/c21-18-7-3-2-6-17(18)15-29(27,28)26-12-10-25(11-13-26)20-14-19(22-16-23-20)24-8-4-1-5-9-24/h2-3,6-7,14,16H,1,4-5,8-13,15H2
InChIKeyIRZAATCLSWIXDL-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.26
Rot. Bonds5

About 4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine

4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine (PubChem CID 122343153) has the molecular formula C20H26FN5O2S and a molecular weight of 419.53 g/mol. Its IUPAC name is 4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine
PubChem CID122343153
Molecular FormulaC20H26FN5O2S
Molecular Weight419.53 g/mol
Exact Mass419.18
IUPAC Name4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine
SMILESO=S(=O)(Cc1ccccc1F)N1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C20H26FN5O2S/c21-18-7-3-2-6-17(18)15-29(27,28)26-12-10-25(11-13-26)20-14-19(22-16-23-20)24-8-4-1-5-9-24/h2-3,6-7,14,16H,1,4-5,8-13,15H2
InChIKeyIRZAATCLSWIXDL-UHFFFAOYSA-N
XLogP2.26
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 122343620
1-(2-fluorophenyl)-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 122327732
6-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N-pyridin-2-ylpyrimidin-4-amine
CID 122349232
4-(4-benzylsulfonylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56922983
4-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122342117
4-(4-benzylsulfonylpiperazin-1-yl)-6-phenylpyrimidine
CID 20933367
4-[4-[(4-chlorophenyl)methylsulfonyl]piperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122342123
2-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 122333171
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
6-[4-[(2,5-difluorophenyl)methylsulfonyl]piperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrimidin-4-amine
CID 122349652
4-(4-ethylsulfonylpiperazin-1-yl)-6-(4-fluorophenyl)pyrimidine
CID 53006604
1-[6-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-yl]azepane
CID 122335071

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine (CID 122343153) is 4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine is O=S(=O)(Cc1ccccc1F)N1CCN(c2cc(N3CCCCC3)ncn2)CC1.
What is the InChIKey of 4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine?
The InChIKey is IRZAATCLSWIXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O2S/c21-18-7-3-2-6-17(18)15-29(27,28)26-12-10-25(11-13-26)20-14-19(22-16-23-20)24-8-4-1-5-9-24/h2-3,6-7,14,16H,1,4-5,8-13,15H2.
What are the key properties of 4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine?
4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine has a molecular weight of 419.53 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 122343153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).