5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(4-methylphenyl)methyl]isoindol-1-ol

C22H24N2O — CID 91142032

IUPAC5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(4-methylphenyl)methyl]isoindol-1-ol
SMILESCc1ccc(Cn2cc3cc(C4=CCN(C)CC4)ccc3c2O)cc1
InChIInChI=1S/C22H24N2O/c1-16-3-5-17(6-4-16)14-24-15-20-13-19(7-8-21(20)22(24)25)18-9-11-23(2)12-10-18/h3-9,13,15,25H,10-12,14H2,1-2H3
InChIKeyBDCHMDMQIIBRTN-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.42
Rot. Bonds3

About 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(4-methylphenyl)methyl]isoindol-1-ol

5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(4-methylphenyl)methyl]isoindol-1-ol (PubChem CID 91142032) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(4-methylphenyl)methyl]isoindol-1-ol.

Molecular Properties

Compound Name5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(4-methylphenyl)methyl]isoindol-1-ol
PubChem CID91142032
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(4-methylphenyl)methyl]isoindol-1-ol
SMILESCc1ccc(Cn2cc3cc(C4=CCN(C)CC4)ccc3c2O)cc1
InChIInChI=1S/C22H24N2O/c1-16-3-5-17(6-4-16)14-24-15-20-13-19(7-8-21(20)22(24)25)18-9-11-23(2)12-10-18/h3-9,13,15,25H,10-12,14H2,1-2H3
InChIKeyBDCHMDMQIIBRTN-UHFFFAOYSA-N
XLogP4.42
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 91575552
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 23273824
2-[1-benzyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-5-yl]ethanesulfonic acid
CID 123897745
6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indazole
CID 53408346
4-(7,7-dimethyl-6,8-dihydro-5H-naphthalen-2-yl)-1-methyl-3,6-dihydro-2H-pyridine
CID 167678389
ethyl 2-[(2,4-dimethylphenyl)sulfanylmethyl]-5-hydroxy-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[(4-methylphenyl)methyl]indole-3-carboxylate
CID 177344307
5-[5-[2-(4-chloro-2,6-difluorophenoxy)propan-2-yl]-4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]-2-[(4-methoxyphenyl)methyl]isoindol-1-ol
CID 123925525
2-[(4-chlorophenyl)methyl]-7-methyl-5-(4-methylpiperazin-1-yl)isoindol-1-ol
CID 90840924
2-[(4-chlorophenyl)methyl]-7-methyl-5-[3-(4-methylpiperazin-1-yl)propyl]isoindol-1-ol
CID 91336365
2-[(4-methylphenyl)methyl]-9-phenylpyrrolo[3,4-b]quinolin-1-ol
CID 135995962
4-[[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]phenol
CID 6456261
1-methyl-4-[6-[2-(oxolan-3-yl)ethoxy]naphthalen-2-yl]-3,6-dihydro-2H-pyridine
CID 176503477

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(4-methylphenyl)methyl]isoindol-1-ol?
The IUPAC name of 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(4-methylphenyl)methyl]isoindol-1-ol (CID 91142032) is 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(4-methylphenyl)methyl]isoindol-1-ol.
What is the SMILES notation for 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(4-methylphenyl)methyl]isoindol-1-ol?
The canonical SMILES for 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(4-methylphenyl)methyl]isoindol-1-ol is Cc1ccc(Cn2cc3cc(C4=CCN(C)CC4)ccc3c2O)cc1.
What is the InChIKey of 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(4-methylphenyl)methyl]isoindol-1-ol?
The InChIKey is BDCHMDMQIIBRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-16-3-5-17(6-4-16)14-24-15-20-13-19(7-8-21(20)22(24)25)18-9-11-23(2)12-10-18/h3-9,13,15,25H,10-12,14H2,1-2H3.
What are the key properties of 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(4-methylphenyl)methyl]isoindol-1-ol?
5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(4-methylphenyl)methyl]isoindol-1-ol has a molecular weight of 332.45 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-2-[(4-methylphenyl)methyl]isoindol-1-ol is sourced from PubChem (CID 91142032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).