5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine

C17H21FN2O — CID 10924201

IUPAC5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESCn1ccc2c1CCN(CCCOc1ccc(F)cc1)C2
InChIInChI=1S/C17H21FN2O/c1-19-10-7-14-13-20(11-8-17(14)19)9-2-12-21-16-5-3-15(18)4-6-16/h3-7,10H,2,8-9,11-13H2,1H3
InChIKeyNDZSZEYESLWNDQ-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.99
Rot. Bonds5

About 5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine

5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (PubChem CID 10924201) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is 5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
PubChem CID10924201
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC Name5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESCn1ccc2c1CCN(CCCOc1ccc(F)cc1)C2
InChIInChI=1S/C17H21FN2O/c1-19-10-7-14-13-20(11-8-17(14)19)9-2-12-21-16-5-3-15(18)4-6-16/h3-7,10H,2,8-9,11-13H2,1H3
InChIKeyNDZSZEYESLWNDQ-UHFFFAOYSA-N
XLogP2.99
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-fluorophenoxy)ethyl]-3,4-dihydro-1H-isoquinolin-5-amine
CID 61015179
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
1-[3-(4-fluorophenoxy)propyl]azepane;oxalic acid
CID 2944017
1-[3-(4-fluorophenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681363
2-[4-(4-fluorophenoxy)butyl]-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 59083240
1-[3-(4-fluorophenoxy)propyl]-4-methylpiperidin-4-amine;hydrate;dihydrochloride
CID 21472470
2-[(6R)-4-[3-(4-fluorophenoxy)propyl]-6-methoxy-1,4-diazepan-1-yl]-N-methylethanamine
CID 174001455
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]methanamine
CID 22390813
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
3-[3-(4-fluorophenoxy)propyl]-2,4-dihydroimidazole
CID 57285802
ethyl 4-[3-(4-fluorophenoxy)propyl]piperazine-1-carboxylate
CID 10710086
2-[(3S)-1-[3-(4-fluorophenoxy)propyl]piperidin-3-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92608957

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (CID 10924201) is 5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is Cn1ccc2c1CCN(CCCOc1ccc(F)cc1)C2.
What is the InChIKey of 5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The InChIKey is NDZSZEYESLWNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-19-10-7-14-13-20(11-8-17(14)19)9-2-12-21-16-5-3-15(18)4-6-16/h3-7,10H,2,8-9,11-13H2,1H3.
What are the key properties of 5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine has a molecular weight of 288.37 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenoxy)propyl]-1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 10924201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).