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

C26H33N3 — CID 146096191

IUPAC2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole
SMILESCc1cc(CN2CCCCC2c2cc3ccccc3[nH]2)ccc1N1CCCCC1
InChIInChI=1S/C26H33N3/c1-20-17-21(12-13-25(20)28-14-6-2-7-15-28)19-29-16-8-5-11-26(29)24-18-22-9-3-4-10-23(22)27-24/h3-4,9-10,12-13,17-18,26-27H,2,5-8,11,14-16,19H2,1H3
InChIKeyPFKRROPWWDDFSX-UHFFFAOYSA-N
MW387.57 g/mol
LogP6.19
Rot. Bonds4

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

2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole (PubChem CID 146096191) has the molecular formula C26H33N3 and a molecular weight of 387.57 g/mol. Its IUPAC name is 2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole.

Molecular Properties

Compound Name2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole
PubChem CID146096191
Molecular FormulaC26H33N3
Molecular Weight387.57 g/mol
Exact Mass387.27
IUPAC Name2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole
SMILESCc1cc(CN2CCCCC2c2cc3ccccc3[nH]2)ccc1N1CCCCC1
InChIInChI=1S/C26H33N3/c1-20-17-21(12-13-25(20)28-14-6-2-7-15-28)19-29-16-8-5-11-26(29)24-18-22-9-3-4-10-23(22)27-24/h3-4,9-10,12-13,17-18,26-27H,2,5-8,11,14-16,19H2,1H3
InChIKeyPFKRROPWWDDFSX-UHFFFAOYSA-N
XLogP6.19
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-[(2R)-1-[(5-methylpyrazin-2-yl)methyl]piperidin-2-yl]-1H-indole
CID 95344808
2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride
CID 119931465
3-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]propanoic acid
CID 124704455
(5R)-5-[[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 124777878
2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole
CID 113089044
1-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95616938
[3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol
CID 111976743
3-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(methylcarbamoyl)propanamide
CID 95322772
2-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 89479222
1-[4-(chloromethyl)-2-methylphenyl]azocane
CID 63539921
2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 95324295
2-cyclohexyl-1H-indole
CID 607977

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole?
The IUPAC name of 2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole (CID 146096191) is 2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole.
What is the SMILES notation for 2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole?
The canonical SMILES for 2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole is Cc1cc(CN2CCCCC2c2cc3ccccc3[nH]2)ccc1N1CCCCC1.
What is the InChIKey of 2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole?
The InChIKey is PFKRROPWWDDFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3/c1-20-17-21(12-13-25(20)28-14-6-2-7-15-28)19-29-16-8-5-11-26(29)24-18-22-9-3-4-10-23(22)27-24/h3-4,9-10,12-13,17-18,26-27H,2,5-8,11,14-16,19H2,1H3.
What are the key properties of 2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole?
2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole has a molecular weight of 387.57 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methyl-4-piperidin-1-ylphenyl)methyl]piperidin-2-yl]-1H-indole is sourced from PubChem (CID 146096191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).