2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-10-ol

C23H30FN3O — CID 67892331

IUPAC2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-10-ol
SMILESCCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)C(O)CCCCC3)CC1
InChIInChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)22-16-20(17-8-10-18(24)11-9-17)19-6-4-3-5-7-21(28)23(19)25-22/h8-11,16,21,28H,2-7,12-15H2,1H3
InChIKeyKFMNEYUILCKOFP-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.18
Rot. Bonds3

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

2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-10-ol (PubChem CID 67892331) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-10-ol.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-10-ol
PubChem CID67892331
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC Name2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-10-ol
SMILESCCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)C(O)CCCCC3)CC1
InChIInChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)22-16-20(17-8-10-18(24)11-9-17)19-6-4-3-5-7-21(28)23(19)25-22/h8-11,16,21,28H,2-7,12-15H2,1H3
InChIKeyKFMNEYUILCKOFP-UHFFFAOYSA-N
XLogP4.18
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-10-ol?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-10-ol (CID 67892331) is 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-10-ol.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-10-ol?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-10-ol is CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)C(O)CCCCC3)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-10-ol?
The InChIKey is KFMNEYUILCKOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c1-2-26-12-14-27(15-13-26)22-16-20(17-8-10-18(24)11-9-17)19-6-4-3-5-7-21(28)23(19)25-22/h8-11,16,21,28H,2-7,12-15H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-10-ol?
2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-10-ol has a molecular weight of 383.51 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-4-(4-fluorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-10-ol is sourced from PubChem (CID 67892331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).