3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]piperidin-3-ol

C15H25N5O2 — CID 70748932

IUPAC3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]piperidin-3-ol
SMILESCOc1ccnc(N2CCN(CC3(O)CCCNC3)CC2)n1
InChIInChI=1S/C15H25N5O2/c1-22-13-3-6-17-14(18-13)20-9-7-19(8-10-20)12-15(21)4-2-5-16-11-15/h3,6,16,21H,2,4-5,7-12H2,1H3
InChIKeyUNCYDJTYAWUCTR-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.28
Rot. Bonds4

About 3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]piperidin-3-ol

3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]piperidin-3-ol (PubChem CID 70748932) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]piperidin-3-ol
PubChem CID70748932
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]piperidin-3-ol
SMILESCOc1ccnc(N2CCN(CC3(O)CCCNC3)CC2)n1
InChIInChI=1S/C15H25N5O2/c1-22-13-3-6-17-14(18-13)20-9-7-19(8-10-20)12-15(21)4-2-5-16-11-15/h3,6,16,21H,2,4-5,7-12H2,1H3
InChIKeyUNCYDJTYAWUCTR-UHFFFAOYSA-N
XLogP-0.28
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]piperidin-3-ol?
The IUPAC name of 3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]piperidin-3-ol (CID 70748932) is 3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]piperidin-3-ol?
The canonical SMILES for 3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]piperidin-3-ol is COc1ccnc(N2CCN(CC3(O)CCCNC3)CC2)n1.
What is the InChIKey of 3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]piperidin-3-ol?
The InChIKey is UNCYDJTYAWUCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-22-13-3-6-17-14(18-13)20-9-7-19(8-10-20)12-15(21)4-2-5-16-11-15/h3,6,16,21H,2,4-5,7-12H2,1H3.
What are the key properties of 3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]piperidin-3-ol?
3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]piperidin-3-ol has a molecular weight of 307.40 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 70748932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).