2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine

C18H23N3O4S — CID 121162874

IUPAC2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
SMILESCc1nccc(OC2CCN(S(=O)(=O)CCOc3ccccc3)CC2)n1
InChIInChI=1S/C18H23N3O4S/c1-15-19-10-7-18(20-15)25-17-8-11-21(12-9-17)26(22,23)14-13-24-16-5-3-2-4-6-16/h2-7,10,17H,8-9,11-14H2,1H3
InChIKeyVLRNAHIANASETQ-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.04
Rot. Bonds7

About 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine

2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine (PubChem CID 121162874) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine.

Molecular Properties

Compound Name2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
PubChem CID121162874
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
SMILESCc1nccc(OC2CCN(S(=O)(=O)CCOc3ccccc3)CC2)n1
InChIInChI=1S/C18H23N3O4S/c1-15-19-10-7-18(20-15)25-17-8-11-21(12-9-17)26(22,23)14-13-24-16-5-3-2-4-6-16/h2-7,10,17H,8-9,11-14H2,1H3
InChIKeyVLRNAHIANASETQ-UHFFFAOYSA-N
XLogP2.04
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
CID 121161723
2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122261143
3-methyl-6-[1-(2-phenoxyethylsulfonyl)pyrrolidin-3-yl]oxypyridazine
CID 91627446
2-methyl-4-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121162803
2-[1-(2-phenoxyethylsulfonyl)azetidin-3-yl]oxyquinoline
CID 122250690
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 121162565
3-methyl-6-[(3R)-1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyridazine
CID 100644194
[4-(2-methylpyrimidin-4-yl)oxycyclohexyl] methanesulfonate
CID 139342597
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-naphthalen-1-ylmethanone
CID 121162462
1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 121162475
2-methoxy-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162400
4-(2-phenoxyethylsulfonyl)-7-phenyl-1,4-thiazepane
CID 90629665

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine?
The IUPAC name of 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine (CID 121162874) is 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine.
What is the SMILES notation for 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine?
The canonical SMILES for 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine is Cc1nccc(OC2CCN(S(=O)(=O)CCOc3ccccc3)CC2)n1.
What is the InChIKey of 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine?
The InChIKey is VLRNAHIANASETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-15-19-10-7-18(20-15)25-17-8-11-21(12-9-17)26(22,23)14-13-24-16-5-3-2-4-6-16/h2-7,10,17H,8-9,11-14H2,1H3.
What are the key properties of 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine?
2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine has a molecular weight of 377.47 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine is sourced from PubChem (CID 121162874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).