2-methyl-3-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxy-6-methylsulfonylpyridine

C19H30N2O4S — CID 71224932

IUPAC2-methyl-3-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxy-6-methylsulfonylpyridine
SMILESCc1nc(S(C)(=O)=O)ccc1OC1CCC(OC2CCN(C)CC2)CC1
InChIInChI=1S/C19H30N2O4S/c1-14-18(8-9-19(20-14)26(3,22)23)25-16-6-4-15(5-7-16)24-17-10-12-21(2)13-11-17/h8-9,15-17H,4-7,10-13H2,1-3H3
InChIKeyRDUVSWWTGNLPDV-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.59
Rot. Bonds5

About 2-methyl-3-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxy-6-methylsulfonylpyridine

2-methyl-3-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxy-6-methylsulfonylpyridine (PubChem CID 71224932) has the molecular formula C19H30N2O4S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-methyl-3-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxy-6-methylsulfonylpyridine.

Molecular Properties

Compound Name2-methyl-3-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxy-6-methylsulfonylpyridine
PubChem CID71224932
Molecular FormulaC19H30N2O4S
Molecular Weight382.53 g/mol
Exact Mass382.19
IUPAC Name2-methyl-3-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxy-6-methylsulfonylpyridine
SMILESCc1nc(S(C)(=O)=O)ccc1OC1CCC(OC2CCN(C)CC2)CC1
InChIInChI=1S/C19H30N2O4S/c1-14-18(8-9-19(20-14)26(3,22)23)25-16-6-4-15(5-7-16)24-17-10-12-21(2)13-11-17/h8-9,15-17H,4-7,10-13H2,1-3H3
InChIKeyRDUVSWWTGNLPDV-UHFFFAOYSA-N
XLogP2.59
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxy-6-methylsulfonylpyridine?
The IUPAC name of 2-methyl-3-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxy-6-methylsulfonylpyridine (CID 71224932) is 2-methyl-3-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxy-6-methylsulfonylpyridine.
What is the SMILES notation for 2-methyl-3-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxy-6-methylsulfonylpyridine?
The canonical SMILES for 2-methyl-3-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxy-6-methylsulfonylpyridine is Cc1nc(S(C)(=O)=O)ccc1OC1CCC(OC2CCN(C)CC2)CC1.
What is the InChIKey of 2-methyl-3-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxy-6-methylsulfonylpyridine?
The InChIKey is RDUVSWWTGNLPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4S/c1-14-18(8-9-19(20-14)26(3,22)23)25-16-6-4-15(5-7-16)24-17-10-12-21(2)13-11-17/h8-9,15-17H,4-7,10-13H2,1-3H3.
What are the key properties of 2-methyl-3-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxy-6-methylsulfonylpyridine?
2-methyl-3-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxy-6-methylsulfonylpyridine has a molecular weight of 382.53 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(1-methylpiperidin-4-yl)oxycyclohexyl]oxy-6-methylsulfonylpyridine is sourced from PubChem (CID 71224932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).