3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole

C18H24N2O — CID 22364696

IUPAC3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CCCCN3CC=CCC3)c2c1
InChIInChI=1S/C18H24N2O/c1-21-16-8-9-18-17(13-16)15(14-19-18)7-3-6-12-20-10-4-2-5-11-20/h2,4,8-9,13-14,19H,3,5-7,10-12H2,1H3
InChIKeyKQHDSJODPGJWCB-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.76
Rot. Bonds6

About 3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole

3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole (PubChem CID 22364696) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole
PubChem CID22364696
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole
SMILESCOc1ccc2[nH]cc(CCCCN3CC=CCC3)c2c1
InChIInChI=1S/C18H24N2O/c1-21-16-8-9-18-17(13-16)15(14-19-18)7-3-6-12-20-10-4-2-5-11-20/h2,4,8-9,13-14,19H,3,5-7,10-12H2,1H3
InChIKeyKQHDSJODPGJWCB-UHFFFAOYSA-N
XLogP3.76
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72735021
3-[4-[3-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 67883226
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-5-methoxy-1H-indole;hydrochloride
CID 131720346
2-[1-[4-(5-methoxy-1H-indol-3-yl)butyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indol-5-ol
CID 67713328
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indol-5-amine
CID 19936462
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-3,5-diamine
CID 102230597
3-[4-[4-(4-methoxyphenyl)piperazin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 19936429
3-[1-[3-(5-methoxy-1H-indol-3-yl)propyl]piperidin-4-yl]-1H-indol-5-ol
CID 21469424
3-[2-(2,4-dimethylazetidin-1-yl)ethyl]-5-methoxy-1H-indole
CID 170277434
5-methoxy-3-[(1-methylazetidin-2-yl)methyl]-1H-indole
CID 19970245
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyrrole-2,5-diol
CID 123758816

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole?
The IUPAC name of 3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole (CID 22364696) is 3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole.
What is the SMILES notation for 3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole?
The canonical SMILES for 3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole is COc1ccc2[nH]cc(CCCCN3CC=CCC3)c2c1.
What is the InChIKey of 3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole?
The InChIKey is KQHDSJODPGJWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-21-16-8-9-18-17(13-16)15(14-19-18)7-3-6-12-20-10-4-2-5-11-20/h2,4,8-9,13-14,19H,3,5-7,10-12H2,1H3.
What are the key properties of 3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole?
3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole has a molecular weight of 284.40 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,6-dihydro-2H-pyridin-1-yl)butyl]-5-methoxy-1H-indole is sourced from PubChem (CID 22364696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).