2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine

C15H18N4O — CID 62700527

IUPAC2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine
SMILESc1cnc(COc2ccccc2N2CCNCC2)nc1
InChIInChI=1S/C15H18N4O/c1-2-5-14(20-12-15-17-6-3-7-18-15)13(4-1)19-10-8-16-9-11-19/h1-7,16H,8-12H2
InChIKeyTXSILCMVAXKVGN-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.47
Rot. Bonds4

About 2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine

2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine (PubChem CID 62700527) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine.

Molecular Properties

Compound Name2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine
PubChem CID62700527
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine
SMILESc1cnc(COc2ccccc2N2CCNCC2)nc1
InChIInChI=1S/C15H18N4O/c1-2-5-14(20-12-15-17-6-3-7-18-15)13(4-1)19-10-8-16-9-11-19/h1-7,16H,8-12H2
InChIKeyTXSILCMVAXKVGN-UHFFFAOYSA-N
XLogP1.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride
CID 67387967
1-[2-(pyrimidin-2-ylmethoxy)phenyl]piperidin-4-amine
CID 62697897
ethane;1-(2-ethoxyphenyl)piperazine
CID 142040905
2-(2-piperazin-1-ylphenoxy)ethanol;hydrobromide
CID 117067034
1-[2-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperazine
CID 173335330
1-(2-octoxyphenyl)piperazine
CID 63461603
1-[2-[(1-methylpyrazol-3-yl)methoxy]phenyl]-1,4-diazepane
CID 82869614
1-[2-(3-methylbut-2-enoxy)phenyl]piperazine
CID 114284672
4-(2-piperazin-1-ylphenoxy)butanenitrile
CID 114284674
1-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]-1,4-diazepane
CID 115943307
1-(2-phenoxyphenyl)piperazine
CID 12996705
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673

Frequently Asked Questions

What is the IUPAC name of 2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine?
The IUPAC name of 2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine (CID 62700527) is 2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine.
What is the SMILES notation for 2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine?
The canonical SMILES for 2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine is c1cnc(COc2ccccc2N2CCNCC2)nc1.
What is the InChIKey of 2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine?
The InChIKey is TXSILCMVAXKVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-2-5-14(20-12-15-17-6-3-7-18-15)13(4-1)19-10-8-16-9-11-19/h1-7,16H,8-12H2.
What are the key properties of 2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine?
2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine has a molecular weight of 270.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine is sourced from PubChem (CID 62700527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).