2-[4-[2-[3,3-bis(4-fluorophenyl)piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine

C27H31F2N5 — CID 67376413

IUPAC2-[4-[2-[3,3-bis(4-fluorophenyl)piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine
SMILESFc1ccc(C2(c3ccc(F)cc3)CCCN(CCN3CCN(c4ncccn4)CC3)C2)cc1
InChIInChI=1S/C27H31F2N5/c28-24-7-3-22(4-8-24)27(23-5-9-25(29)10-6-23)11-1-14-33(21-27)16-15-32-17-19-34(20-18-32)26-30-12-2-13-31-26/h2-10,12-13H,1,11,14-21H2
InChIKeyCHOMKNKVRXLGDO-UHFFFAOYSA-N
MW463.58 g/mol
LogP3.96
Rot. Bonds6

About 2-[4-[2-[3,3-bis(4-fluorophenyl)piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine

2-[4-[2-[3,3-bis(4-fluorophenyl)piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine (PubChem CID 67376413) has the molecular formula C27H31F2N5 and a molecular weight of 463.58 g/mol. Its IUPAC name is 2-[4-[2-[3,3-bis(4-fluorophenyl)piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[2-[3,3-bis(4-fluorophenyl)piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine
PubChem CID67376413
Molecular FormulaC27H31F2N5
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC Name2-[4-[2-[3,3-bis(4-fluorophenyl)piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine
SMILESFc1ccc(C2(c3ccc(F)cc3)CCCN(CCN3CCN(c4ncccn4)CC3)C2)cc1
InChIInChI=1S/C27H31F2N5/c28-24-7-3-22(4-8-24)27(23-5-9-25(29)10-6-23)11-1-14-33(21-27)16-15-32-17-19-34(20-18-32)26-30-12-2-13-31-26/h2-10,12-13H,1,11,14-21H2
InChIKeyCHOMKNKVRXLGDO-UHFFFAOYSA-N
XLogP3.96
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-[3,3-bis(4-fluorophenyl)piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
(4-fluorophenyl)-[1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]methanone;dihydrochloride
CID 14882741
(6S)-4-[(4-fluorophenyl)methyl]-8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396493
9a-(4-fluorophenyl)-2-pyrimidin-2-yl-3,4,6,7,8,9-hexahydro-1H-pyrido[1,2-a]pyrazine
CID 173316726
3-(4-fluorophenyl)-1-pyrimidin-2-ylazetidin-3-ol
CID 133487482
4-(4-fluorophenyl)-N'-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111043439
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 111230461
2-[4-[3-(4-fluorophenoxy)-3-phenylpropyl]piperazin-1-yl]pyrimidine
CID 58058011
5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]imidazol-4-one
CID 142917534
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
CID 46736988
1-[(4-fluorophenyl)methyl]-2-methyl-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111232965
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111233078

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[3,3-bis(4-fluorophenyl)piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[2-[3,3-bis(4-fluorophenyl)piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine (CID 67376413) is 2-[4-[2-[3,3-bis(4-fluorophenyl)piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[2-[3,3-bis(4-fluorophenyl)piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[2-[3,3-bis(4-fluorophenyl)piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine is Fc1ccc(C2(c3ccc(F)cc3)CCCN(CCN3CCN(c4ncccn4)CC3)C2)cc1.
What is the InChIKey of 2-[4-[2-[3,3-bis(4-fluorophenyl)piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine?
The InChIKey is CHOMKNKVRXLGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N5/c28-24-7-3-22(4-8-24)27(23-5-9-25(29)10-6-23)11-1-14-33(21-27)16-15-32-17-19-34(20-18-32)26-30-12-2-13-31-26/h2-10,12-13H,1,11,14-21H2.
What are the key properties of 2-[4-[2-[3,3-bis(4-fluorophenyl)piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine?
2-[4-[2-[3,3-bis(4-fluorophenyl)piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine has a molecular weight of 463.58 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[3,3-bis(4-fluorophenyl)piperidin-1-yl]ethyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 67376413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).