(2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone

C21H22N2O2 — CID 139011392

IUPAC(2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c(O)c1
InChIInChI=1S/C21H22N2O2/c1-14-6-7-17(20(24)12-14)21(25)23-10-8-15(9-11-23)19-13-16-4-2-3-5-18(16)22-19/h2-7,12-13,15,22,24H,8-11H2,1H3
InChIKeyISEJNYOKTNBXRW-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.20
Rot. Bonds2

About (2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone

(2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone (PubChem CID 139011392) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
PubChem CID139011392
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c(O)c1
InChIInChI=1S/C21H22N2O2/c1-14-6-7-17(20(24)12-14)21(25)23-10-8-15(9-11-23)19-13-16-4-2-3-5-18(16)22-19/h2-7,12-13,15,22,24H,8-11H2,1H3
InChIKeyISEJNYOKTNBXRW-UHFFFAOYSA-N
XLogP4.20
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
furan-2-yl-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087824
(2-hydroxy-4-methylphenyl)-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 56752151
(3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088033
1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 113088043
[2-(dimethylamino)-4-pyridinyl]-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 51097128
2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088041
4-(1H-indol-2-yl)-N-(2-methyltetrazol-5-yl)piperidine-1-carboxamide
CID 136563655
1-[(2R)-2-[4-(1H-indol-2-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 95590201
(3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088040
[4-(1-bromoethyl)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 106839238
2-(2-fluorophenyl)-1-[4-(1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113087860

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone (CID 139011392) is (2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(c3cc4ccccc4[nH]3)CC2)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone?
The InChIKey is ISEJNYOKTNBXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-14-6-7-17(20(24)12-14)21(25)23-10-8-15(9-11-23)19-13-16-4-2-3-5-18(16)22-19/h2-7,12-13,15,22,24H,8-11H2,1H3.
What are the key properties of (2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone?
(2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 4.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methylphenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 139011392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).