(1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]

C22H26FNO — CID 97415529

IUPAC(1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCO[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccc(C)cc21
InChIInChI=1S/C22H26FNO/c1-16-3-8-20-19(13-16)21(25-2)14-22(20)9-11-24(12-10-22)15-17-4-6-18(23)7-5-17/h3-8,13,21H,9-12,14-15H2,1-2H3/t21-/m0/s1
InChIKeyMQNRSTFMNOKCLC-NRFANRHFSA-N
MW339.45 g/mol
LogP4.76
Rot. Bonds3

About (1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]

(1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine] (PubChem CID 97415529) has the molecular formula C22H26FNO and a molecular weight of 339.45 g/mol. Its IUPAC name is (1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine].

Molecular Properties

Compound Name(1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]
PubChem CID97415529
Molecular FormulaC22H26FNO
Molecular Weight339.45 g/mol
Exact Mass339.20
IUPAC Name(1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]
SMILESCO[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccc(C)cc21
InChIInChI=1S/C22H26FNO/c1-16-3-8-20-19(13-16)21(25-2)14-22(20)9-11-24(12-10-22)15-17-4-6-18(23)7-5-17/h3-8,13,21H,9-12,14-15H2,1-2H3/t21-/m0/s1
InChIKeyMQNRSTFMNOKCLC-NRFANRHFSA-N
XLogP4.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine] with MolForge

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Related Compounds

(1S)-1-methoxy-6-methyl-1'-(thiophen-3-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]
CID 97415521
3-[(4-fluorophenyl)methyl]-9-[(4-methylphenyl)methyl]-3,9-diazaspiro[5.5]undecane
CID 97370656
1'-[(4-fluorophenyl)methyl]-5-methylspiro[1,2-dihydroindene-3,4'-piperidine];2,2,2-trifluoroacetic acid
CID 155841213
2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N-methylacetamide
CID 97375716
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1,7-bis[(3,5-difluorophenyl)methyl]-4,10-bis[(4-methylphenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 139159419
N-(cyclopropylmethyl)-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375802
N-cyclobutyl-2-[(1S)-1'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 97375886
1-[(4-fluorophenyl)methyl]-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 1126262
4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 171667469
(3S)-3-ethoxy-8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97450673

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]?
The IUPAC name of (1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine] (CID 97415529) is (1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine].
What is the SMILES notation for (1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]?
The canonical SMILES for (1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine] is CO[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccc(C)cc21.
What is the InChIKey of (1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]?
The InChIKey is MQNRSTFMNOKCLC-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26FNO/c1-16-3-8-20-19(13-16)21(25-2)14-22(20)9-11-24(12-10-22)15-17-4-6-18(23)7-5-17/h3-8,13,21H,9-12,14-15H2,1-2H3/t21-/m0/s1.
What are the key properties of (1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine]?
(1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine] has a molecular weight of 339.45 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-[(4-fluorophenyl)methyl]-1-methoxy-6-methylspiro[1,2-dihydroindene-3,4'-piperidine] is sourced from PubChem (CID 97415529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).