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

C22H26N2 — CID 67753677

IUPAC3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
SMILESCc1ccc(CCN2CCC(c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H26N2/c1-17-6-8-18(9-7-17)10-13-24-14-11-19(12-15-24)21-16-23-22-5-3-2-4-20(21)22/h2-9,16,19,23H,10-15H2,1H3
InChIKeyGEAVWFLJCZCJJZ-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.90
Rot. Bonds4

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

3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole (PubChem CID 67753677) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole.

Molecular Properties

Compound Name3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
PubChem CID67753677
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
SMILESCc1ccc(CCN2CCC(c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C22H26N2/c1-17-6-8-18(9-7-17)10-13-24-14-11-19(12-15-24)21-16-23-22-5-3-2-4-20(21)22/h2-9,16,19,23H,10-15H2,1H3
InChIKeyGEAVWFLJCZCJJZ-UHFFFAOYSA-N
XLogP4.90
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-butylpiperidin-4-yl)-1H-indole
CID 21135948
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
3-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]-1H-indole
CID 67753310
3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
CID 67426458
buta-1,3-diene;ethane;3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-amine
CID 143060234
3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
CID 158590362
methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 160789149
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
3-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole
CID 136580194
3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole
CID 91802123

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole?
The IUPAC name of 3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole (CID 67753677) is 3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole.
What is the SMILES notation for 3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole?
The canonical SMILES for 3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole is Cc1ccc(CCN2CCC(c3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole?
The InChIKey is GEAVWFLJCZCJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-17-6-8-18(9-7-17)10-13-24-14-11-19(12-15-24)21-16-23-22-5-3-2-4-20(21)22/h2-9,16,19,23H,10-15H2,1H3.
What are the key properties of 3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole?
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole has a molecular weight of 318.46 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole is sourced from PubChem (CID 67753677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).