4-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine

C24H32FN3 — CID 15135953

IUPAC4-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
SMILESCCCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1
InChIInChI=1S/C24H32FN3/c1-2-13-27-14-16-28(17-15-27)24-18-22(19-9-11-20(25)12-10-19)21-7-5-3-4-6-8-23(21)26-24/h9-12,18H,2-8,13-17H2,1H3
InChIKeyXAKQMBOTRRLVTH-UHFFFAOYSA-N
MW381.54 g/mol
LogP5.08
Rot. Bonds4

About 4-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine

4-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine (PubChem CID 15135953) has the molecular formula C24H32FN3 and a molecular weight of 381.54 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
PubChem CID15135953
Molecular FormulaC24H32FN3
Molecular Weight381.54 g/mol
Exact Mass381.26
IUPAC Name4-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
SMILESCCCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1
InChIInChI=1S/C24H32FN3/c1-2-13-27-14-16-28(17-15-27)24-18-22(19-9-11-20(25)12-10-19)21-7-5-3-4-6-8-23(21)26-24/h9-12,18H,2-8,13-17H2,1H3
InChIKeyXAKQMBOTRRLVTH-UHFFFAOYSA-N
XLogP5.08
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.54
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine with MolForge

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Related Compounds

4-(4-fluorophenyl)-2-[4-(1,1,2,2,2-pentadeuterioethyl)piperazin-1-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CID 71314128
2-(4-cyclopropylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CID 15020817
4-(4-fluorophenyl)-2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CID 139636068
4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]-1-methylpiperidin-4-ol
CID 139636090
1-[6-(4-fluorophenyl)pyridazin-3-yl]-4-propyl-1,4-diazepane
CID 133314322
2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
CID 139636097
2-chloro-4-(4-chlorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CID 15020637
1-benzyl-4-[4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]piperidin-4-ol
CID 139636095
4-(4-ethylpiperazin-1-yl)-6-(4-fluorophenyl)-2-phenylpyrimidine
CID 69355120
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 10786275
2-(4-ethylpiperazin-1-yl)-4-(1-fluorocyclohexa-2,4-dien-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CID 21120550
1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine
CID 118626072

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine?
The IUPAC name of 4-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine (CID 15135953) is 4-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine?
The canonical SMILES for 4-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine is CCCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine?
The InChIKey is XAKQMBOTRRLVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN3/c1-2-13-27-14-16-28(17-15-27)24-18-22(19-9-11-20(25)12-10-19)21-7-5-3-4-6-8-23(21)26-24/h9-12,18H,2-8,13-17H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine?
4-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine has a molecular weight of 381.54 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-(4-propylpiperazin-1-yl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine is sourced from PubChem (CID 15135953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).