2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine

C23H25FN4O — CID 58058011

IUPAC2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine
SMILESFc1ccc(OC(CCN2CCN(c3ncccn3)CC2)c2ccccc2)cc1
InChIInChI=1S/C23H25FN4O/c24-20-7-9-21(10-8-20)29-22(19-5-2-1-3-6-19)11-14-27-15-17-28(18-16-27)23-25-12-4-13-26-23/h1-10,12-13,22H,11,14-18H2
InChIKeyONONMUJQWMFVRU-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.95
Rot. Bonds7

About 2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine

2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine (PubChem CID 58058011) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine
PubChem CID58058011
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine
SMILESFc1ccc(OC(CCN2CCN(c3ncccn3)CC2)c2ccccc2)cc1
InChIInChI=1S/C23H25FN4O/c24-20-7-9-21(10-8-20)29-22(19-5-2-1-3-6-19)11-14-27-15-17-28(18-16-27)23-25-12-4-13-26-23/h1-10,12-13,22H,11,14-18H2
InChIKeyONONMUJQWMFVRU-UHFFFAOYSA-N
XLogP3.95
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-4-pyridin-2-ylpiperazine
CID 11797416
1-(4-fluorophenyl)-4-[3-(3-methoxyphenyl)-3-phenoxypropyl]piperazine
CID 42867847
2-(4-fluorophenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39540125
3-[4-[3-(4-methoxyphenoxy)-3-phenylpropyl]piperazin-1-yl]-1,2-benzoxazole
CID 11442128
4-[3-(4-fluorophenyl)-3-quinolin-8-yloxypropyl]morpholine
CID 42867773
1-ethyl-2-[2-(4-fluorophenoxy)propyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 111678364
2-(4-fluorophenyl)sulfanyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 39540021
1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 18069562
5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]imidazol-4-one
CID 142917534
(1S)-1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol
CID 10020651
2-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]pyrimidine;bis(2,2,2-trifluoroacetic acid)
CID 154886082
N-[1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]benzamide
CID 54386733

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine (CID 58058011) is 2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine is Fc1ccc(OC(CCN2CCN(c3ncccn3)CC2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine?
The InChIKey is ONONMUJQWMFVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c24-20-7-9-21(10-8-20)29-22(19-5-2-1-3-6-19)11-14-27-15-17-28(18-16-27)23-25-12-4-13-26-23/h1-10,12-13,22H,11,14-18H2.
What are the key properties of 2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine?
2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine has a molecular weight of 392.48 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 58058011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).