4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol

C19H25N3O3 — CID 92611588

IUPAC4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol
SMILESCOc1ncc(C2(O)CCN(CCc3ccccc3)CC2)c(OC)n1
InChIInChI=1S/C19H25N3O3/c1-24-17-16(14-20-18(21-17)25-2)19(23)9-12-22(13-10-19)11-8-15-6-4-3-5-7-15/h3-7,14,23H,8-13H2,1-2H3
InChIKeyBVWKJVMSYHRQNH-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.02
Rot. Bonds6

About 4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol

4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol (PubChem CID 92611588) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol.

Molecular Properties

Compound Name4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol
PubChem CID92611588
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol
SMILESCOc1ncc(C2(O)CCN(CCc3ccccc3)CC2)c(OC)n1
InChIInChI=1S/C19H25N3O3/c1-24-17-16(14-20-18(21-17)25-2)19(23)9-12-22(13-10-19)11-8-15-6-4-3-5-7-15/h3-7,14,23H,8-13H2,1-2H3
InChIKeyBVWKJVMSYHRQNH-UHFFFAOYSA-N
XLogP2.02
TPSA67.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-bromoisoquinolin-1-yl)-1-(2-phenylethyl)piperidin-4-ol
CID 13466237
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
2,4-bis(4-methoxyphenoxy)-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-5-amine
CID 52935612
(2-methoxypyrimidin-5-yl)-[9-(2-phenylethyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45195685
3-(2,4-dimethoxypyrimidin-5-yl)-8-[(4-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 110215291
5-fluoro-4-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]pyrimidin-2-amine
CID 137342628
1-[2-(2-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine;dihydrochloride
CID 155541951
1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 154756940
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
[4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol
CID 126461306
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol?
The IUPAC name of 4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol (CID 92611588) is 4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol.
What is the SMILES notation for 4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol?
The canonical SMILES for 4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol is COc1ncc(C2(O)CCN(CCc3ccccc3)CC2)c(OC)n1.
What is the InChIKey of 4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol?
The InChIKey is BVWKJVMSYHRQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-24-17-16(14-20-18(21-17)25-2)19(23)9-12-22(13-10-19)11-8-15-6-4-3-5-7-15/h3-7,14,23H,8-13H2,1-2H3.
What are the key properties of 4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol?
4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol has a molecular weight of 343.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxypyrimidin-5-yl)-1-(2-phenylethyl)piperidin-4-ol is sourced from PubChem (CID 92611588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).