(1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C21H25FN2O — CID 133112951

IUPAC(1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCN(Cc1ccc(F)cc1)[C@H]1c2ccccc2C2(CCNCC2)[C@@H]1O
InChIInChI=1S/C21H25FN2O/c1-24(14-15-6-8-16(22)9-7-15)19-17-4-2-3-5-18(17)21(20(19)25)10-12-23-13-11-21/h2-9,19-20,23,25H,10-14H2,1H3/t19-,20+/m0/s1
InChIKeyHBEPDKZZACTCAJ-VQTJNVASSA-N
MW340.44 g/mol
LogP2.99
Rot. Bonds3

About (1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 133112951) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is (1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID133112951
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC Name(1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCN(Cc1ccc(F)cc1)[C@H]1c2ccccc2C2(CCNCC2)[C@@H]1O
InChIInChI=1S/C21H25FN2O/c1-24(14-15-6-8-16(22)9-7-15)19-17-4-2-3-5-18(17)21(20(19)25)10-12-23-13-11-21/h2-9,19-20,23,25H,10-14H2,1H3/t19-,20+/m0/s1
InChIKeyHBEPDKZZACTCAJ-VQTJNVASSA-N
XLogP2.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-1-[methyl-[(2-methyl-4-pyridinyl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31015982
(1R,2R)-1-[methyl(pyrazin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31004078
(1R,2R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31162599
(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 154887408
(1R,2R)-1-[methyl(quinolin-2-ylmethyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31193627
(1S,2R)-spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
CID 131859580
(1R,2R)-1-[methyl(4-morpholin-4-ylbutyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 30876916
(1R,2R)-1-[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 154924363
(1R,2R)-1-[methyl(3-morpholin-4-ylpropyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 154889311
4-fluoro-N-[(1S,2S)-2-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]benzamide
CID 133124703
(1R,2R)-1-[(3,4-dimethoxyphenyl)methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56896122
6-[(4-fluorophenyl)methyl-methylamino]-2,2-dimethylcyclohexan-1-ol
CID 79835548

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 133112951) is (1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is CN(Cc1ccc(F)cc1)[C@H]1c2ccccc2C2(CCNCC2)[C@@H]1O.
What is the InChIKey of (1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is HBEPDKZZACTCAJ-VQTJNVASSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-24(14-15-6-8-16(22)9-7-15)19-17-4-2-3-5-18(17)21(20(19)25)10-12-23-13-11-21/h2-9,19-20,23,25H,10-14H2,1H3/t19-,20+/m0/s1.
What are the key properties of (1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 340.44 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-[(4-fluorophenyl)methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 133112951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).