3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole

C20H22N2 — CID 91802123

IUPAC3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole
SMILESCc1ccccc1N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H22N2/c1-15-6-2-5-9-20(15)22-12-10-16(11-13-22)18-14-21-19-8-4-3-7-17(18)19/h2-9,14,16,21H,10-13H2,1H3
InChIKeyYOMUVHCPERRKMX-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.86
Rot. Bonds2

About 3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole

3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole (PubChem CID 91802123) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole
PubChem CID91802123
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole
SMILESCc1ccccc1N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H22N2/c1-15-6-2-5-9-20(15)22-12-10-16(11-13-22)18-14-21-19-8-4-3-7-17(18)19/h2-9,14,16,21H,10-13H2,1H3
InChIKeyYOMUVHCPERRKMX-UHFFFAOYSA-N
XLogP4.86
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
3-(1-propan-2-ylsulfanylpiperidin-4-yl)-1H-indole
CID 144855106
4-[4-(1H-indol-3-yl)piperidin-1-yl]-3-methylsulfonylbenzenesulfonamide
CID 56578901
3-[1-(4-methylsulfonyl-2-nitrophenyl)piperidin-4-yl]-1H-indole
CID 134045206
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
[3-(1H-indol-3-yl)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 70686769
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
3-[1-(2,3-dihydroindol-1-ylmethyl)piperidin-4-yl]-1H-indole
CID 59108468

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole?
The IUPAC name of 3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole (CID 91802123) is 3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole is Cc1ccccc1N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole?
The InChIKey is YOMUVHCPERRKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-15-6-2-5-9-20(15)22-12-10-16(11-13-22)18-14-21-19-8-4-3-7-17(18)19/h2-9,14,16,21H,10-13H2,1H3.
What are the key properties of 3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole?
3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole has a molecular weight of 290.41 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole is sourced from PubChem (CID 91802123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).