2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine

C19H23FN4 — CID 139665129

IUPAC2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
SMILESFc1ccc(-c2nc3c(c(N4CCNCC4)n2)CCCCC3)cc1
InChIInChI=1S/C19H23FN4/c20-15-8-6-14(7-9-15)18-22-17-5-3-1-2-4-16(17)19(23-18)24-12-10-21-11-13-24/h6-9,21H,1-5,10-13H2
InChIKeyJNMZZTHRJRYZLO-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.96
Rot. Bonds2

About 2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine

2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine (PubChem CID 139665129) has the molecular formula C19H23FN4 and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
PubChem CID139665129
Molecular FormulaC19H23FN4
Molecular Weight326.42 g/mol
Exact Mass326.19
IUPAC Name2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
SMILESFc1ccc(-c2nc3c(c(N4CCNCC4)n2)CCCCC3)cc1
InChIInChI=1S/C19H23FN4/c20-15-8-6-14(7-9-15)18-22-17-5-3-1-2-4-16(17)19(23-18)24-12-10-21-11-13-24/h6-9,21H,1-5,10-13H2
InChIKeyJNMZZTHRJRYZLO-UHFFFAOYSA-N
XLogP2.96
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]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-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66525353
2-(3-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66525351
4-piperazin-1-yl-2-thiophen-2-yl-5,6,7,8-tetrahydroquinazoline
CID 82169394
2-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62191740
2-phenyl-4-piperidin-1-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 3654198
1-[6-(4-fluorophenyl)-2,5-diphenylpyrimidin-4-yl]-1,4-diazepane
CID 59340699
4-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)thiomorpholine
CID 53192919
[2-(4-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
CID 62251407
2-(4-fluorophenyl)-1-(2-phenyl-4-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 7225721
(4-fluorophenyl)-(2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 7360577
2,4,6-tris(4-piperazin-1-ylphenyl)-1,3,5-triazine
CID 146566089
6-(4-fluorophenyl)sulfonyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 42787030

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The IUPAC name of 2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine (CID 139665129) is 2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The canonical SMILES for 2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine is Fc1ccc(-c2nc3c(c(N4CCNCC4)n2)CCCCC3)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
The InChIKey is JNMZZTHRJRYZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4/c20-15-8-6-14(7-9-15)18-22-17-5-3-1-2-4-16(17)19(23-18)24-12-10-21-11-13-24/h6-9,21H,1-5,10-13H2.
What are the key properties of 2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine?
2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine has a molecular weight of 326.42 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-piperazin-1-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine is sourced from PubChem (CID 139665129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).