[4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol

C18H22ClN3O3 — CID 135153926

IUPAC[4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
SMILESCOc1ccc(OC2CCN(c3nc(CO)nc(Cl)c3C)CC2)cc1
InChIInChI=1S/C18H22ClN3O3/c1-12-17(19)20-16(11-23)21-18(12)22-9-7-15(8-10-22)25-14-5-3-13(24-2)4-6-14/h3-6,15,23H,7-11H2,1-2H3
InChIKeyWXDYHLASMKKLFM-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.99
Rot. Bonds5

About [4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol

[4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol (PubChem CID 135153926) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is [4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
PubChem CID135153926
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC Name[4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol
SMILESCOc1ccc(OC2CCN(c3nc(CO)nc(Cl)c3C)CC2)cc1
InChIInChI=1S/C18H22ClN3O3/c1-12-17(19)20-16(11-23)21-18(12)22-9-7-15(8-10-22)25-14-5-3-13(24-2)4-6-14/h3-6,15,23H,7-11H2,1-2H3
InChIKeyWXDYHLASMKKLFM-UHFFFAOYSA-N
XLogP2.99
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol?
The IUPAC name of [4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol (CID 135153926) is [4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol.
What is the SMILES notation for [4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol?
The canonical SMILES for [4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol is COc1ccc(OC2CCN(c3nc(CO)nc(Cl)c3C)CC2)cc1.
What is the InChIKey of [4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol?
The InChIKey is WXDYHLASMKKLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O3/c1-12-17(19)20-16(11-23)21-18(12)22-9-7-15(8-10-22)25-14-5-3-13(24-2)4-6-14/h3-6,15,23H,7-11H2,1-2H3.
What are the key properties of [4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol?
[4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol has a molecular weight of 363.85 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-6-[4-(4-methoxyphenoxy)piperidin-1-yl]-5-methylpyrimidin-2-yl]methanol is sourced from PubChem (CID 135153926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).