(R)-[4-(3-chlorophenyl)-2-methoxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol

C23H24ClN3O2 — CID 24900030

IUPAC(R)-[4-(3-chlorophenyl)-2-methoxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol
SMILESCOc1cc(-c2cccc(Cl)c2)ccc1[C@H](O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H24ClN3O2/c1-29-21-15-18(17-4-2-5-19(24)14-17)6-7-20(21)22(28)16-8-12-27(13-9-16)23-25-10-3-11-26-23/h2-7,10-11,14-16,22,28H,8-9,12-13H2,1H3/t22-/m1/s1
InChIKeyREDOGACJJIJVJO-JOCHJYFZSA-N
MW409.92 g/mol
LogP4.76
Rot. Bonds5

About (R)-[4-(3-chlorophenyl)-2-methoxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol

(R)-[4-(3-chlorophenyl)-2-methoxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol (PubChem CID 24900030) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is (R)-[4-(3-chlorophenyl)-2-methoxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol.

Molecular Properties

Compound Name(R)-[4-(3-chlorophenyl)-2-methoxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol
PubChem CID24900030
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name(R)-[4-(3-chlorophenyl)-2-methoxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol
SMILESCOc1cc(-c2cccc(Cl)c2)ccc1[C@H](O)C1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H24ClN3O2/c1-29-21-15-18(17-4-2-5-19(24)14-17)6-7-20(21)22(28)16-8-12-27(13-9-16)23-25-10-3-11-26-23/h2-7,10-11,14-16,22,28H,8-9,12-13H2,1H3/t22-/m1/s1
InChIKeyREDOGACJJIJVJO-JOCHJYFZSA-N
XLogP4.76
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

{4-(4-Chlorobenzyl)-1-[4-(pyrimidin-2-yloxy)benzyl]piperidin-4-yl}methanol
CID 16192267
4-Chloro-2-[1-[[3,5-diethoxy-4-(4-fluorophenyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine
CID 145981765
2-[4-[2-[5-Chloro-2-(2-phenylethoxy)phenyl]ethyl]piperazin-1-yl]pyrimidine
CID 10574272
(4-Chlorophenyl)-(2-methoxyphenyl)-pyrimidin-5-ylmethanol
CID 56658369
2-[4-[3-[5-Chloro-2-(2-phenylethoxy)phenyl]propyl]piperazin-1-yl]pyrimidine
CID 11797218
2-[[5-[[3-(3-Chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]pyrimidin-2-yl]-methylamino]ethanol
CID 58020158
4-(2-Methoxyphenyl)-1-[(3-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol
CID 16673489
[4-(3-Methoxybenzyl)-1-pyrimidin-2-ylpiperidin-4-yl]methanol
CID 56740634
[4-(3-Chlorophenyl)-2-methoxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 15951120
2-[4-[[4-(3-Chlorophenyl)phenyl]-hydroxymethyl]piperidin-1-yl]pyrimidin-5-ol
CID 15951471
1-[1-(3-Methoxyphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]cyclohexan-1-ol
CID 21241514
2-[4-[(R)-[4-(3-chlorophenyl)phenyl]-hydroxymethyl]piperidin-1-yl]pyrimidin-5-ol
CID 24795116

Frequently Asked Questions

What is the IUPAC name of (R)-[4-(3-chlorophenyl)-2-methoxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol?
The IUPAC name of (R)-[4-(3-chlorophenyl)-2-methoxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol (CID 24900030) is (R)-[4-(3-chlorophenyl)-2-methoxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol.
What is the SMILES notation for (R)-[4-(3-chlorophenyl)-2-methoxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol?
The canonical SMILES for (R)-[4-(3-chlorophenyl)-2-methoxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol is COc1cc(-c2cccc(Cl)c2)ccc1[C@H](O)C1CCN(c2ncccn2)CC1.
What is the InChIKey of (R)-[4-(3-chlorophenyl)-2-methoxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol?
The InChIKey is REDOGACJJIJVJO-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c1-29-21-15-18(17-4-2-5-19(24)14-17)6-7-20(21)22(28)16-8-12-27(13-9-16)23-25-10-3-11-26-23/h2-7,10-11,14-16,22,28H,8-9,12-13H2,1H3/t22-/m1/s1.
What are the key properties of (R)-[4-(3-chlorophenyl)-2-methoxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol?
(R)-[4-(3-chlorophenyl)-2-methoxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol has a molecular weight of 409.92 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-(3-chlorophenyl)-2-methoxyphenyl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanol is sourced from PubChem (CID 24900030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).