4-[1-(4-chlorophenyl)ethoxy]-2-piperazin-1-ylpyrimidine

C16H19ClN4O — CID 22248824

IUPAC4-[1-(4-chlorophenyl)ethoxy]-2-piperazin-1-ylpyrimidine
SMILESCC(Oc1ccnc(N2CCNCC2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN4O/c1-12(13-2-4-14(17)5-3-13)22-15-6-7-19-16(20-15)21-10-8-18-9-11-21/h2-7,12,18H,8-11H2,1H3
InChIKeyUXMZPOHNEUOSFE-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.68
Rot. Bonds4

About 4-[1-(4-chlorophenyl)ethoxy]-2-piperazin-1-ylpyrimidine

4-[1-(4-chlorophenyl)ethoxy]-2-piperazin-1-ylpyrimidine (PubChem CID 22248824) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)ethoxy]-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)ethoxy]-2-piperazin-1-ylpyrimidine
PubChem CID22248824
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name4-[1-(4-chlorophenyl)ethoxy]-2-piperazin-1-ylpyrimidine
SMILESCC(Oc1ccnc(N2CCNCC2)n1)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClN4O/c1-12(13-2-4-14(17)5-3-13)22-15-6-7-19-16(20-15)21-10-8-18-9-11-21/h2-7,12,18H,8-11H2,1H3
InChIKeyUXMZPOHNEUOSFE-UHFFFAOYSA-N
XLogP2.68
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,2-dimethylpropoxy)-2-piperazin-1-ylpyrimidine
CID 135278992
2-[4-(azetidin-3-yl)piperazin-1-yl]-4-propan-2-yloxypyrimidine
CID 115975429
1-[5-fluoro-4-[(1R)-1-(4-fluorophenyl)ethoxy]pyrimidin-2-yl]-1,4-diazepane
CID 156754947
2,4-di(piperazin-1-yl)pyrimidine
CID 6610945
4-(2,4-dichlorophenyl)-2-piperazin-1-ylpyrimidine
CID 103278321
6-chloro-3-(2-piperazin-1-ylpyrimidin-4-yl)imidazo[1,2-a]pyridine
CID 139365202
4-[(2,3-difluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine
CID 141073558
4-methoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
CID 66195619
4-(4-chlorophenyl)-5-methyl-2-piperazin-1-ylpyrimidine
CID 103278304
2-[4-(1-bromoethyl)piperidin-1-yl]-4-propan-2-yloxypyrimidine
CID 106838630
4-ethoxy-2-(3-piperazin-1-ylazetidin-1-yl)pyrimidine
CID 112638748
methyl 2-piperazin-1-ylpyrimidine-4-carboxylate
CID 131596703

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)ethoxy]-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-[1-(4-chlorophenyl)ethoxy]-2-piperazin-1-ylpyrimidine (CID 22248824) is 4-[1-(4-chlorophenyl)ethoxy]-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-[1-(4-chlorophenyl)ethoxy]-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-[1-(4-chlorophenyl)ethoxy]-2-piperazin-1-ylpyrimidine is CC(Oc1ccnc(N2CCNCC2)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)ethoxy]-2-piperazin-1-ylpyrimidine?
The InChIKey is UXMZPOHNEUOSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-12(13-2-4-14(17)5-3-13)22-15-6-7-19-16(20-15)21-10-8-18-9-11-21/h2-7,12,18H,8-11H2,1H3.
What are the key properties of 4-[1-(4-chlorophenyl)ethoxy]-2-piperazin-1-ylpyrimidine?
4-[1-(4-chlorophenyl)ethoxy]-2-piperazin-1-ylpyrimidine has a molecular weight of 318.81 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)ethoxy]-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 22248824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).