N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine

C25H33FN2O — CID 25455629

IUPACN-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine
SMILESCOCCN(Cc1cccc(F)c1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C25H33FN2O/c1-29-13-12-27(17-20-6-4-10-24(26)14-20)18-21-7-5-11-28(19-21)25-15-22-8-2-3-9-23(22)16-25/h2-4,6,8-10,14,21,25H,5,7,11-13,15-19H2,1H3/t21-/m0/s1
InChIKeyOPXLMMNTEGECSV-NRFANRHFSA-N
MW396.55 g/mol
LogP4.15
Rot. Bonds8

About N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine

N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine (PubChem CID 25455629) has the molecular formula C25H33FN2O and a molecular weight of 396.55 g/mol. Its IUPAC name is N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine
PubChem CID25455629
Molecular FormulaC25H33FN2O
Molecular Weight396.55 g/mol
Exact Mass396.26
IUPAC NameN-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine
SMILESCOCCN(Cc1cccc(F)c1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C25H33FN2O/c1-29-13-12-27(17-20-6-4-10-24(26)14-20)18-21-7-5-11-28(19-21)25-15-22-8-2-3-9-23(22)16-25/h2-4,6,8-10,14,21,25H,5,7,11-13,15-19H2,1H3/t21-/m0/s1
InChIKeyOPXLMMNTEGECSV-NRFANRHFSA-N
XLogP4.15
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 45206715
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-methoxyethanamine
CID 45223889
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 45195527
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(1H-imidazol-2-ylmethyl)-2-methoxyethanamine
CID 31043035
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 72892920
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(3-methyl-1H-indol-2-yl)methyl]ethanamine
CID 45232706
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]ethanamine
CID 45186972
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-methylpyrazolidin-3-yl)methyl]ethanamine
CID 74610318
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 45169992
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-[(1-pyridin-2-ylpyrrol-2-yl)methyl]ethanamine
CID 45235177
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-2-methoxy-N-(2-methoxyethyl)acetamide
CID 97273009
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-oxopropanamide
CID 97275119

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine (CID 25455629) is N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine is COCCN(Cc1cccc(F)c1)C[C@@H]1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine?
The InChIKey is OPXLMMNTEGECSV-NRFANRHFSA-N. The full InChI is InChI=1S/C25H33FN2O/c1-29-13-12-27(17-20-6-4-10-24(26)14-20)18-21-7-5-11-28(19-21)25-15-22-8-2-3-9-23(22)16-25/h2-4,6,8-10,14,21,25H,5,7,11-13,15-19H2,1H3/t21-/m0/s1.
What are the key properties of N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine?
N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine has a molecular weight of 396.55 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-[(3-fluorophenyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 25455629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).