3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene

C22H29FN2 — CID 174420428

IUPAC3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene
SMILESCCN1CCC(CC2CNc3ccccc32)CC1.Fc1ccccc1
InChIInChI=1S/C16H24N2.C6H5F/c1-2-18-9-7-13(8-10-18)11-14-12-17-16-6-4-3-5-15(14)16;7-6-4-2-1-3-5-6/h3-6,13-14,17H,2,7-12H2,1H3;1-5H
InChIKeyNGVRCRGWQAOZQI-UHFFFAOYSA-N
MW340.49 g/mol
LogP5.14
Rot. Bonds3

About 3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene

3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene (PubChem CID 174420428) has the molecular formula C22H29FN2 and a molecular weight of 340.49 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene
PubChem CID174420428
Molecular FormulaC22H29FN2
Molecular Weight340.49 g/mol
Exact Mass340.23
IUPAC Name3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene
SMILESCCN1CCC(CC2CNc3ccccc32)CC1.Fc1ccccc1
InChIInChI=1S/C16H24N2.C6H5F/c1-2-18-9-7-13(8-10-18)11-14-12-17-16-6-4-3-5-15(14)16;7-6-4-2-1-3-5-6/h3-6,13-14,17H,2,7-12H2,1H3;1-5H
InChIKeyNGVRCRGWQAOZQI-UHFFFAOYSA-N
XLogP5.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.49
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene 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

3-ethyl-2,3-dihydro-1H-indole;fluorobenzene
CID 174405299
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
3-ethyl-1-(1-ethylpiperidin-4-yl)-2,3-dihydroindole;fluorobenzene
CID 174404800
3-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 80565688
3-[2-(3-ethylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 80576591
3-[(3-methylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 80567119
3-[2-(4-tert-butylpiperidin-1-yl)ethyl]-2,3-dihydro-1H-indole
CID 80574620
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80565293
4-(2,3-dihydro-1H-indol-3-ylmethyl)thiomorpholine
CID 80567140
1-(1-ethylpiperidin-4-yl)-3-[(4-fluorophenyl)methyl]-2,3-dihydroindole
CID 22038360
(3S)-5-fluoro-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-2,3-dihydro-1H-indole
CID 169244473
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567242

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene?
The IUPAC name of 3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene (CID 174420428) is 3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene.
What is the SMILES notation for 3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene?
The canonical SMILES for 3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene is CCN1CCC(CC2CNc3ccccc32)CC1.Fc1ccccc1.
What is the InChIKey of 3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene?
The InChIKey is NGVRCRGWQAOZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2.C6H5F/c1-2-18-9-7-13(8-10-18)11-14-12-17-16-6-4-3-5-15(14)16;7-6-4-2-1-3-5-6/h3-6,13-14,17H,2,7-12H2,1H3;1-5H.
What are the key properties of 3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene?
3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene has a molecular weight of 340.49 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-4-yl)methyl]-2,3-dihydro-1H-indole;fluorobenzene is sourced from PubChem (CID 174420428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).