4-(2,4-diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol

C21H29N3O4 — CID 46953483

IUPAC4-(2,4-diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol
SMILESCCOc1ncc(C2(O)CCN(Cc3ccc(OC)cc3)CC2)c(OCC)n1
InChIInChI=1S/C21H29N3O4/c1-4-27-19-18(14-22-20(23-19)28-5-2)21(25)10-12-24(13-11-21)15-16-6-8-17(26-3)9-7-16/h6-9,14,25H,4-5,10-13,15H2,1-3H3
InChIKeyPPVNNGXDSVZQKB-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.77
Rot. Bonds8

About 4-(2,4-diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol

4-(2,4-diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol (PubChem CID 46953483) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 4-(2,4-diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2,4-diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol
PubChem CID46953483
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name4-(2,4-diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol
SMILESCCOc1ncc(C2(O)CCN(Cc3ccc(OC)cc3)CC2)c(OCC)n1
InChIInChI=1S/C21H29N3O4/c1-4-27-19-18(14-22-20(23-19)28-5-2)21(25)10-12-24(13-11-21)15-16-6-8-17(26-3)9-7-16/h6-9,14,25H,4-5,10-13,15H2,1-3H3
InChIKeyPPVNNGXDSVZQKB-UHFFFAOYSA-N
XLogP2.77
TPSA76.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-(2,4-diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol (CID 46953483) is 4-(2,4-diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(2,4-diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(2,4-diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol is CCOc1ncc(C2(O)CCN(Cc3ccc(OC)cc3)CC2)c(OCC)n1.
What is the InChIKey of 4-(2,4-diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol?
The InChIKey is PPVNNGXDSVZQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-4-27-19-18(14-22-20(23-19)28-5-2)21(25)10-12-24(13-11-21)15-16-6-8-17(26-3)9-7-16/h6-9,14,25H,4-5,10-13,15H2,1-3H3.
What are the key properties of 4-(2,4-diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol?
4-(2,4-diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol has a molecular weight of 387.48 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-diethoxypyrimidin-5-yl)-1-[(4-methoxyphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 46953483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).