[3-[(3-chlorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol

C18H22ClN3O2 — CID 56741487

IUPAC[3-[(3-chlorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCOc1cc(N2CCCC(CO)(Cc3cccc(Cl)c3)C2)ncn1
InChIInChI=1S/C18H22ClN3O2/c1-24-17-9-16(20-13-21-17)22-7-3-6-18(11-22,12-23)10-14-4-2-5-15(19)8-14/h2,4-5,8-9,13,23H,3,6-7,10-12H2,1H3
InChIKeyLQENTGIVLSHMIH-UHFFFAOYSA-N
MW347.85 g/mol
LogP2.96
Rot. Bonds5

About [3-[(3-chlorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol

[3-[(3-chlorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol (PubChem CID 56741487) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is [3-[(3-chlorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(3-chlorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol
PubChem CID56741487
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name[3-[(3-chlorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol
SMILESCOc1cc(N2CCCC(CO)(Cc3cccc(Cl)c3)C2)ncn1
InChIInChI=1S/C18H22ClN3O2/c1-24-17-9-16(20-13-21-17)22-7-3-6-18(11-22,12-23)10-14-4-2-5-15(19)8-14/h2,4-5,8-9,13,23H,3,6-7,10-12H2,1H3
InChIKeyLQENTGIVLSHMIH-UHFFFAOYSA-N
XLogP2.96
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-chlorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol?
The IUPAC name of [3-[(3-chlorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol (CID 56741487) is [3-[(3-chlorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(3-chlorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol?
The canonical SMILES for [3-[(3-chlorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol is COc1cc(N2CCCC(CO)(Cc3cccc(Cl)c3)C2)ncn1.
What is the InChIKey of [3-[(3-chlorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol?
The InChIKey is LQENTGIVLSHMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-24-17-9-16(20-13-21-17)22-7-3-6-18(11-22,12-23)10-14-4-2-5-15(19)8-14/h2,4-5,8-9,13,23H,3,6-7,10-12H2,1H3.
What are the key properties of [3-[(3-chlorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol?
[3-[(3-chlorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol has a molecular weight of 347.85 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chlorophenyl)methyl]-1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methanol is sourced from PubChem (CID 56741487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).