1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol

C22H22ClN3O — CID 69324713

IUPAC1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc3[nH]c(-c4ccc(Cl)c5c[nH]cc45)cc3c2)CC1
InChIInChI=1S/C22H22ClN3O/c23-20-3-2-17(18-11-24-12-19(18)20)22-10-15-9-14(1-4-21(15)25-22)13-26-7-5-16(27)6-8-26/h1-4,9-12,16,24-25,27H,5-8,13H2
InChIKeyGIHAKUKMUYLOPM-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.93
Rot. Bonds3

About 1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol

1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol (PubChem CID 69324713) has the molecular formula C22H22ClN3O and a molecular weight of 379.89 g/mol. Its IUPAC name is 1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol
PubChem CID69324713
Molecular FormulaC22H22ClN3O
Molecular Weight379.89 g/mol
Exact Mass379.15
IUPAC Name1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2ccc3[nH]c(-c4ccc(Cl)c5c[nH]cc45)cc3c2)CC1
InChIInChI=1S/C22H22ClN3O/c23-20-3-2-17(18-11-24-12-19(18)20)22-10-15-9-14(1-4-21(15)25-22)13-26-7-5-16(27)6-8-26/h1-4,9-12,16,24-25,27H,5-8,13H2
InChIKeyGIHAKUKMUYLOPM-UHFFFAOYSA-N
XLogP4.93
TPSA55.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

5-methyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2H-isoindol-4-ol
CID 69293865
5-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid
CID 90004363
1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol
CID 43169013
3-[5-[(3-hydroxypyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668265
5-[5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-indol-2-yl]-6-oxo-1H-pyridine-3-carboxylic acid
CID 140560628
1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
4-chloro-5-ethyl-7-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-2,3-dihydro-1H-isoindol-1-ol
CID 174551690
(3S)-1-[(3-bromo-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 103917989
3-[5-(azetidin-1-ylmethyl)-1H-indol-2-yl]-1H-quinolin-2-one
CID 10131514
3-[5-[(3-aminopyrrolidin-1-yl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one
CID 22668304
1-[[2-(5-amino-2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-1H-indol-5-yl]methyl]piperidin-3-ol
CID 59640241
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol (CID 69324713) is 1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol is OC1CCN(Cc2ccc3[nH]c(-c4ccc(Cl)c5c[nH]cc45)cc3c2)CC1.
What is the InChIKey of 1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol?
The InChIKey is GIHAKUKMUYLOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O/c23-20-3-2-17(18-11-24-12-19(18)20)22-10-15-9-14(1-4-21(15)25-22)13-26-7-5-16(27)6-8-26/h1-4,9-12,16,24-25,27H,5-8,13H2.
What are the key properties of 1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol?
1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol has a molecular weight of 379.89 g/mol, XLogP of 4.93, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(7-chloro-2H-isoindol-4-yl)-1H-indol-5-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 69324713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).