2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine

C19H26N4O2 — CID 86976676

IUPAC2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
SMILESCCCOc1ccc(OCCN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-2-15-24-17-4-6-18(7-5-17)25-16-14-22-10-12-23(13-11-22)19-20-8-3-9-21-19/h3-9H,2,10-16H2,1H3
InChIKeyFTDDWSMMWUXXDI-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.47
Rot. Bonds8

About 2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine

2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine (PubChem CID 86976676) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
PubChem CID86976676
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine
SMILESCCCOc1ccc(OCCN2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H26N4O2/c1-2-15-24-17-4-6-18(7-5-17)25-16-14-22-10-12-23(13-11-22)19-20-8-3-9-21-19/h3-9H,2,10-16H2,1H3
InChIKeyFTDDWSMMWUXXDI-UHFFFAOYSA-N
XLogP2.47
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[2-(4-propoxyphenoxy)ethyl]piperidin-4-amine
CID 43556436
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
4,6-dimethyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]pyrimidine
CID 12962125
1-methyl-4-[3-(4-propoxyphenoxy)propyl]piperazine
CID 2993798
1-ethyl-4-[2-(3-propoxyphenoxy)ethyl]piperazine
CID 2215919
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030502
1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid
CID 119908222
2-[4-[3-(1,3-benzodioxol-5-yloxy)propyl]piperazin-1-yl]pyrimidine
CID 13309342
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
1-(4-ethoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 51160406
1-(4-ethoxyphenyl)-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]urea
CID 47049542

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine (CID 86976676) is 2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine is CCCOc1ccc(OCCN2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine?
The InChIKey is FTDDWSMMWUXXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-15-24-17-4-6-18(7-5-17)25-16-14-22-10-12-23(13-11-22)19-20-8-3-9-21-19/h3-9H,2,10-16H2,1H3.
What are the key properties of 2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine?
2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine has a molecular weight of 342.44 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-propoxyphenoxy)ethyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 86976676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).