3-[6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

C19H31N5O — CID 91794992

IUPAC3-[6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN1CCC(CN2CCN(c3cc(C4CC(O)C4)ncn3)CC2)CC1
InChIInChI=1S/C19H31N5O/c1-22-4-2-15(3-5-22)13-23-6-8-24(9-7-23)19-12-18(20-14-21-19)16-10-17(25)11-16/h12,14-17,25H,2-11,13H2,1H3
InChIKeyZCCJFPOMYOZVCM-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.18
Rot. Bonds4

About 3-[6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol

3-[6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (PubChem CID 91794992) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
PubChem CID91794992
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name3-[6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
SMILESCN1CCC(CN2CCN(c3cc(C4CC(O)C4)ncn3)CC2)CC1
InChIInChI=1S/C19H31N5O/c1-22-4-2-15(3-5-22)13-23-6-8-24(9-7-23)19-12-18(20-14-21-19)16-10-17(25)11-16/h12,14-17,25H,2-11,13H2,1H3
InChIKeyZCCJFPOMYOZVCM-UHFFFAOYSA-N
XLogP1.18
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The IUPAC name of 3-[6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol (CID 91794992) is 3-[6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol.
What is the SMILES notation for 3-[6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The canonical SMILES for 3-[6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is CN1CCC(CN2CCN(c3cc(C4CC(O)C4)ncn3)CC2)CC1.
What is the InChIKey of 3-[6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
The InChIKey is ZCCJFPOMYOZVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-22-4-2-15(3-5-22)13-23-6-8-24(9-7-23)19-12-18(20-14-21-19)16-10-17(25)11-16/h12,14-17,25H,2-11,13H2,1H3.
What are the key properties of 3-[6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol?
3-[6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol has a molecular weight of 345.49 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol is sourced from PubChem (CID 91794992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).