1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine]

C31H33FN2O — CID 10027638

IUPAC1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine]
SMILESFc1ccc(-n2cc(CCCCN3CCC4(CCOc5ccccc54)CC3)c3ccccc32)cc1
InChIInChI=1S/C31H33FN2O/c32-25-12-14-26(15-13-25)34-23-24(27-8-1-3-10-29(27)34)7-5-6-19-33-20-16-31(17-21-33)18-22-35-30-11-4-2-9-28(30)31/h1-4,8-15,23H,5-7,16-22H2
InChIKeyVUFUIDNKBYKSMC-UHFFFAOYSA-N
MW468.62 g/mol
LogP6.91
Rot. Bonds6

About 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine]

1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine] (PubChem CID 10027638) has the molecular formula C31H33FN2O and a molecular weight of 468.62 g/mol. Its IUPAC name is 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine].

Molecular Properties

Compound Name1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine]
PubChem CID10027638
Molecular FormulaC31H33FN2O
Molecular Weight468.62 g/mol
Exact Mass468.26
IUPAC Name1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine]
SMILESFc1ccc(-n2cc(CCCCN3CCC4(CCOc5ccccc54)CC3)c3ccccc32)cc1
InChIInChI=1S/C31H33FN2O/c32-25-12-14-26(15-13-25)34-23-24(27-8-1-3-10-29(27)34)7-5-6-19-33-20-16-31(17-21-33)18-22-35-30-11-4-2-9-28(30)31/h1-4,8-15,23H,5-7,16-22H2
InChIKeyVUFUIDNKBYKSMC-UHFFFAOYSA-N
XLogP6.91
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.62
LogP ≤ 56.91
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

N-Methyl-5-benzyloxyindole
CID 259196
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[1,3-dihydroisochromene-4,4'-piperidine]
CID 11754399
3-[5-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-pyridin-3-yl]-quinoline
CID 44372369
5-fluoro-3-[1-[2-(4-fluoro-2-phenylphenoxy)ethyl]piperidin-4-yl]-1H-indole
CID 155517162
3,7,8,9-Tetrahydro-3-methylpyrano(3,2-e)indole-1-ethanamine
CID 132564
[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 3028929
Dimethyl-[2-(3-methyl-3,7,8,9-tetrahydro-pyrano[3,2-e]indol-1-yl)-ethyl]-amine
CID 10244251
1-Cyclohexyl-N-({6-Fluoro-1-[2-(3-Methoxyphenyl)pyridin-4-Yl]-1h-Indol-3-Yl}methyl)methanamine
CID 129318960
1'-[4-[1-(4-Fluorophenyl)indol-3-yl]butyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 10050311
5-{2-[4-(1H-Indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-ethoxy}-quinoline
CID 44335519
5-[2-(3-Naphthalen-2-yl-8-aza-bicyclo[3.2.1]oct-2-en-8-yl)-ethoxy]-quinoline
CID 44395383
[3-(5-Fluoro-1H-indol-3-yl)-propyl]-[2-(5,6,7,8-tetrahydro-naphthalen-1-yloxy)-ethyl]-amine
CID 9820536

Frequently Asked Questions

What is the IUPAC name of 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine]?
The IUPAC name of 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine] (CID 10027638) is 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine].
What is the SMILES notation for 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine]?
The canonical SMILES for 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine] is Fc1ccc(-n2cc(CCCCN3CCC4(CCOc5ccccc54)CC3)c3ccccc32)cc1.
What is the InChIKey of 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine]?
The InChIKey is VUFUIDNKBYKSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN2O/c32-25-12-14-26(15-13-25)34-23-24(27-8-1-3-10-29(27)34)7-5-6-19-33-20-16-31(17-21-33)18-22-35-30-11-4-2-9-28(30)31/h1-4,8-15,23H,5-7,16-22H2.
What are the key properties of 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine]?
1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine] has a molecular weight of 468.62 g/mol, XLogP of 6.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-[1-(4-fluorophenyl)indol-3-yl]butyl]spiro[2,3-dihydrochromene-4,4'-piperidine] is sourced from PubChem (CID 10027638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).