3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole

C15H18N2 — CID 13070747

IUPAC3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole
SMILESCC1=CCN(C)C(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C15H18N2/c1-11-7-8-17(2)15(9-11)13-10-16-14-6-4-3-5-12(13)14/h3-7,10,15-16H,8-9H2,1-2H3
InChIKeyPBAVAVDQCRQWSH-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.49
Rot. Bonds1

About 3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole

3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole (PubChem CID 13070747) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole.

Molecular Properties

Compound Name3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole
PubChem CID13070747
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole
SMILESCC1=CCN(C)C(c2c[nH]c3ccccc23)C1
InChIInChI=1S/C15H18N2/c1-11-7-8-17(2)15(9-11)13-10-16-14-6-4-3-5-12(13)14/h3-7,10,15-16H,8-9H2,1-2H3
InChIKeyPBAVAVDQCRQWSH-UHFFFAOYSA-N
XLogP3.49
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
2-[(2S)-1-methylpyrrolidin-2-yl]-1H-benzimidazole;3-(1-methylpyrrolidin-2-yl)-1H-indole
CID 144805141
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337
3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
CID 10037310
3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole
CID 91802123
4-(1H-indol-3-yl)azetidin-2-one
CID 55255346
ethane;3-piperidin-4-yl-1H-indole
CID 91036207
methyl 2-(1H-indol-3-yl)-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
CID 134933961
3-(3-methylpiperazin-2-yl)-1H-indole
CID 116829242
3-(oxolan-3-yl)-1H-indole
CID 146673552
3-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]-1H-indole
CID 102223684
1-[2-(1H-indol-3-yl)-2,3-dihydroindol-1-yl]-2-methylpropan-1-imine
CID 21489493

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole?
The IUPAC name of 3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole (CID 13070747) is 3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole.
What is the SMILES notation for 3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole?
The canonical SMILES for 3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole is CC1=CCN(C)C(c2c[nH]c3ccccc23)C1.
What is the InChIKey of 3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole?
The InChIKey is PBAVAVDQCRQWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11-7-8-17(2)15(9-11)13-10-16-14-6-4-3-5-12(13)14/h3-7,10,15-16H,8-9H2,1-2H3.
What are the key properties of 3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole?
3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole has a molecular weight of 226.32 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethyl-3,6-dihydro-2H-pyridin-2-yl)-1H-indole is sourced from PubChem (CID 13070747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).