5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine

C14H23N5O — CID 163866789

IUPAC5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine
SMILESCc1c(OC2CCNCC2)ncnc1N1CCNCC1
InChIInChI=1S/C14H23N5O/c1-11-13(19-8-6-16-7-9-19)17-10-18-14(11)20-12-2-4-15-5-3-12/h10,12,15-16H,2-9H2,1H3
InChIKeyPHIGCIRMVZVDGN-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.33
Rot. Bonds3

About 5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine

5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine (PubChem CID 163866789) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine.

Molecular Properties

Compound Name5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine
PubChem CID163866789
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine
SMILESCc1c(OC2CCNCC2)ncnc1N1CCNCC1
InChIInChI=1S/C14H23N5O/c1-11-13(19-8-6-16-7-9-19)17-10-18-14(11)20-12-2-4-15-5-3-12/h10,12,15-16H,2-9H2,1H3
InChIKeyPHIGCIRMVZVDGN-UHFFFAOYSA-N
XLogP0.33
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine?
The IUPAC name of 5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine (CID 163866789) is 5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine.
What is the SMILES notation for 5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine?
The canonical SMILES for 5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine is Cc1c(OC2CCNCC2)ncnc1N1CCNCC1.
What is the InChIKey of 5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine?
The InChIKey is PHIGCIRMVZVDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11-13(19-8-6-16-7-9-19)17-10-18-14(11)20-12-2-4-15-5-3-12/h10,12,15-16H,2-9H2,1H3.
What are the key properties of 5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine?
5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine has a molecular weight of 277.37 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-piperazin-1-yl-6-piperidin-4-yloxypyrimidine is sourced from PubChem (CID 163866789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).