4-pyridin-3-yl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol

C21H22N4O2 — CID 46967115

IUPAC4-pyridin-3-yl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol
SMILESOC1(c2cccnc2)CCN(Cc2ccc(Oc3ncccn3)cc2)CC1
InChIInChI=1S/C21H22N4O2/c26-21(18-3-1-10-22-15-18)8-13-25(14-9-21)16-17-4-6-19(7-5-17)27-20-23-11-2-12-24-20/h1-7,10-12,15,26H,8-9,13-14,16H2
InChIKeyIQMPGSSQDPCPJM-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.15
Rot. Bonds5

About 4-pyridin-3-yl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol

4-pyridin-3-yl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol (PubChem CID 46967115) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-pyridin-3-yl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-pyridin-3-yl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol
PubChem CID46967115
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-pyridin-3-yl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol
SMILESOC1(c2cccnc2)CCN(Cc2ccc(Oc3ncccn3)cc2)CC1
InChIInChI=1S/C21H22N4O2/c26-21(18-3-1-10-22-15-18)8-13-25(14-9-21)16-17-4-6-19(7-5-17)27-20-23-11-2-12-24-20/h1-7,10-12,15,26H,8-9,13-14,16H2
InChIKeyIQMPGSSQDPCPJM-UHFFFAOYSA-N
XLogP3.15
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-pyridin-3-yl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol (CID 46967115) is 4-pyridin-3-yl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-pyridin-3-yl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-pyridin-3-yl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol is OC1(c2cccnc2)CCN(Cc2ccc(Oc3ncccn3)cc2)CC1.
What is the InChIKey of 4-pyridin-3-yl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol?
The InChIKey is IQMPGSSQDPCPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-21(18-3-1-10-22-15-18)8-13-25(14-9-21)16-17-4-6-19(7-5-17)27-20-23-11-2-12-24-20/h1-7,10-12,15,26H,8-9,13-14,16H2.
What are the key properties of 4-pyridin-3-yl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol?
4-pyridin-3-yl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol has a molecular weight of 362.43 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 46967115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).