5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole

C16H24N2O — CID 115074635

IUPAC5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole
SMILESCCN1CCCC(COc2ccc3c(c2)CCN3)C1
InChIInChI=1S/C16H24N2O/c1-2-18-9-3-4-13(11-18)12-19-15-5-6-16-14(10-15)7-8-17-16/h5-6,10,13,17H,2-4,7-9,11-12H2,1H3
InChIKeyQJBJCCNOZPCRIT-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.77
Rot. Bonds4

About 5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole

5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole (PubChem CID 115074635) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole
PubChem CID115074635
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole
SMILESCCN1CCCC(COc2ccc3c(c2)CCN3)C1
InChIInChI=1S/C16H24N2O/c1-2-18-9-3-4-13(11-18)12-19-15-5-6-16-14(10-15)7-8-17-16/h5-6,10,13,17H,2-4,7-9,11-12H2,1H3
InChIKeyQJBJCCNOZPCRIT-UHFFFAOYSA-N
XLogP2.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(1-methylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075329
7-[(1-ethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076602
5-(thian-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074629
5-[(4-methylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074576
5-(thian-4-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074613
5-(oxetan-3-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074550
N-(1-ethylpiperidin-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61169040
7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076556
7-[(1-methylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076629
5-(pyrrolidin-2-ylmethoxy)-2,3-dihydro-1H-indole
CID 115074528
6-[(4,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075304
7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076616

Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole?
The IUPAC name of 5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole (CID 115074635) is 5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole?
The canonical SMILES for 5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole is CCN1CCCC(COc2ccc3c(c2)CCN3)C1.
What is the InChIKey of 5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole?
The InChIKey is QJBJCCNOZPCRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-18-9-3-4-13(11-18)12-19-15-5-6-16-14(10-15)7-8-17-16/h5-6,10,13,17H,2-4,7-9,11-12H2,1H3.
What are the key properties of 5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole?
5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole has a molecular weight of 260.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylpiperidin-3-yl)methoxy]-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).