2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine

C18H24N4O — CID 155800426

IUPAC2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
SMILESCOc1ccc(CCN2CCN(c3nccc(C)n3)CC2)cc1
InChIInChI=1S/C18H24N4O/c1-15-7-9-19-18(20-15)22-13-11-21(12-14-22)10-8-16-3-5-17(23-2)6-4-16/h3-7,9H,8,10-14H2,1-2H3
InChIKeyWVWPZBNODMMDRK-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.16
Rot. Bonds5

About 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine

2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine (PubChem CID 155800426) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
PubChem CID155800426
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
SMILESCOc1ccc(CCN2CCN(c3nccc(C)n3)CC2)cc1
InChIInChI=1S/C18H24N4O/c1-15-7-9-19-18(20-15)22-13-11-21(12-14-22)10-8-16-3-5-17(23-2)6-4-16/h3-7,9H,8,10-14H2,1-2H3
InChIKeyWVWPZBNODMMDRK-UHFFFAOYSA-N
XLogP2.16
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(4-bromophenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine
CID 155800537
4-(4-fluorophenoxy)-2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 56556990
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
4-methoxy-6-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]pyrimidine
CID 155800641
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
1-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)ethyl]piperazine
CID 15527072
1-(4-methoxy-2-pyridinyl)-4-(2-pyridin-4-ylethyl)piperazine
CID 122158640
N,N-dimethyl-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidin-4-amine
CID 166603212
2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-4-methylpyrimidine
CID 154580839
1-[2-(4-methoxyphenyl)ethyl]-4-propan-2-ylpiperazine
CID 175628874
3-[4-[2-(4-methoxyphenyl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65431024

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine?
The IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine (CID 155800426) is 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine.
What is the SMILES notation for 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine?
The canonical SMILES for 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine is COc1ccc(CCN2CCN(c3nccc(C)n3)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine?
The InChIKey is WVWPZBNODMMDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-15-7-9-19-18(20-15)22-13-11-21(12-14-22)10-8-16-3-5-17(23-2)6-4-16/h3-7,9H,8,10-14H2,1-2H3.
What are the key properties of 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine?
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine has a molecular weight of 312.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]-4-methylpyrimidine is sourced from PubChem (CID 155800426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).