2-[1-(1-methylpiperidin-4-yl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazin-2-yl]ethanol

C20H35N5O — CID 56889562

IUPAC2-[1-(1-methylpiperidin-4-yl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazin-2-yl]ethanol
SMILESCCCc1cc(N2CCN(C3CCN(C)CC3)C(CCO)C2)nc(C)n1
InChIInChI=1S/C20H35N5O/c1-4-5-17-14-20(22-16(2)21-17)24-11-12-25(19(15-24)8-13-26)18-6-9-23(3)10-7-18/h14,18-19,26H,4-13,15H2,1-3H3
InChIKeyJISYJJLOKQBVGC-UHFFFAOYSA-N
MW361.53 g/mol
LogP1.70
Rot. Bonds6

About 2-[1-(1-methylpiperidin-4-yl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazin-2-yl]ethanol

2-[1-(1-methylpiperidin-4-yl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 56889562) has the molecular formula C20H35N5O and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-[1-(1-methylpiperidin-4-yl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1-methylpiperidin-4-yl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazin-2-yl]ethanol
PubChem CID56889562
Molecular FormulaC20H35N5O
Molecular Weight361.53 g/mol
Exact Mass361.28
IUPAC Name2-[1-(1-methylpiperidin-4-yl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazin-2-yl]ethanol
SMILESCCCc1cc(N2CCN(C3CCN(C)CC3)C(CCO)C2)nc(C)n1
InChIInChI=1S/C20H35N5O/c1-4-5-17-14-20(22-16(2)21-17)24-11-12-25(19(15-24)8-13-26)18-6-9-23(3)10-7-18/h14,18-19,26H,4-13,15H2,1-3H3
InChIKeyJISYJJLOKQBVGC-UHFFFAOYSA-N
XLogP1.70
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylpiperidin-4-yl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-(1-methylpiperidin-4-yl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazin-2-yl]ethanol (CID 56889562) is 2-[1-(1-methylpiperidin-4-yl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(1-methylpiperidin-4-yl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-(1-methylpiperidin-4-yl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazin-2-yl]ethanol is CCCc1cc(N2CCN(C3CCN(C)CC3)C(CCO)C2)nc(C)n1.
What is the InChIKey of 2-[1-(1-methylpiperidin-4-yl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is JISYJJLOKQBVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O/c1-4-5-17-14-20(22-16(2)21-17)24-11-12-25(19(15-24)8-13-26)18-6-9-23(3)10-7-18/h14,18-19,26H,4-13,15H2,1-3H3.
What are the key properties of 2-[1-(1-methylpiperidin-4-yl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazin-2-yl]ethanol?
2-[1-(1-methylpiperidin-4-yl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 361.53 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylpiperidin-4-yl)-4-(2-methyl-6-propylpyrimidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 56889562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).