7-chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol

C22H24ClFN2O — CID 90719863

IUPAC7-chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol
SMILESCN1CCC(Cc2cc(Cl)c3c(O)n(Cc4ccc(F)cc4)cc3c2)CC1
InChIInChI=1S/C22H24ClFN2O/c1-25-8-6-15(7-9-25)10-17-11-18-14-26(22(27)21(18)20(23)12-17)13-16-2-4-19(24)5-3-16/h2-5,11-12,14-15,27H,6-10,13H2,1H3
InChIKeyHSUUCUSQMWMPCM-UHFFFAOYSA-N
MW386.90 g/mol
LogP5.07
Rot. Bonds4

About 7-chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol

7-chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol (PubChem CID 90719863) has the molecular formula C22H24ClFN2O and a molecular weight of 386.90 g/mol. Its IUPAC name is 7-chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol.

Molecular Properties

Compound Name7-chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol
PubChem CID90719863
Molecular FormulaC22H24ClFN2O
Molecular Weight386.90 g/mol
Exact Mass386.16
IUPAC Name7-chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol
SMILESCN1CCC(Cc2cc(Cl)c3c(O)n(Cc4ccc(F)cc4)cc3c2)CC1
InChIInChI=1S/C22H24ClFN2O/c1-25-8-6-15(7-9-25)10-17-11-18-14-26(22(27)21(18)20(23)12-17)13-16-2-4-19(24)5-3-16/h2-5,11-12,14-15,27H,6-10,13H2,1H3
InChIKeyHSUUCUSQMWMPCM-UHFFFAOYSA-N
XLogP5.07
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.90
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol 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

8-Chloro-7-(5-fluoro-3-pyridinyl)naphthalen-2-ol
CID 71818089
2-[(4-Chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol
CID 90687564
7-Chloro-2-[(4-fluorophenyl)methyl]-5-(piperidin-4-ylmethyl)isoindol-1-ol
CID 90700186
6-Fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
CID 90705871
5-Chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90735585
2-[(4-Chlorophenyl)methyl]-6-fluoro-3-hydroxyisoindole-4-carbonitrile
CID 90740610
7-Chloro-2-[(4,4-difluorocyclohexyl)methyl]-1-hydroxyisoindole-5-carbonitrile
CID 90765142
2-[3-[3-(Trifluoromethyl)phenyl]propyl]isoindol-1-ol
CID 90805338
7-Chloro-5-(piperidin-4-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90835369
2-(Cyclopropylmethyl)-5-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methylisoindol-1-ol
CID 90838048
4-[(5-Fluoro-1-hydroxy-7-methylisoindol-2-yl)methyl]benzonitrile
CID 90838411
7-Chloro-2-[(4-ethylphenyl)methyl]-5-fluoroisoindol-1-ol
CID 90845928

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol?
The IUPAC name of 7-chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol (CID 90719863) is 7-chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol.
What is the SMILES notation for 7-chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol?
The canonical SMILES for 7-chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol is CN1CCC(Cc2cc(Cl)c3c(O)n(Cc4ccc(F)cc4)cc3c2)CC1.
What is the InChIKey of 7-chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol?
The InChIKey is HSUUCUSQMWMPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClFN2O/c1-25-8-6-15(7-9-25)10-17-11-18-14-26(22(27)21(18)20(23)12-17)13-16-2-4-19(24)5-3-16/h2-5,11-12,14-15,27H,6-10,13H2,1H3.
What are the key properties of 7-chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol?
7-chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol has a molecular weight of 386.90 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol is sourced from PubChem (CID 90719863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).