(1R,2R)-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C18H28N2O2 — CID 31161860

IUPAC(1R,2R)-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCOCCCN(C)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C18H28N2O2/c1-20(12-5-13-22-2)16-14-6-3-4-7-15(14)18(17(16)21)8-10-19-11-9-18/h3-4,6-7,16-17,19,21H,5,8-13H2,1-2H3/t16-,17+/m1/s1
InChIKeyBXUTXQWOLSPBAI-SJORKVTESA-N
MW304.43 g/mol
LogP1.69
Rot. Bonds5

About (1R,2R)-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 31161860) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (1R,2R)-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID31161860
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(1R,2R)-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCOCCCN(C)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C18H28N2O2/c1-20(12-5-13-22-2)16-14-6-3-4-7-15(14)18(17(16)21)8-10-19-11-9-18/h3-4,6-7,16-17,19,21H,5,8-13H2,1-2H3/t16-,17+/m1/s1
InChIKeyBXUTXQWOLSPBAI-SJORKVTESA-N
XLogP1.69
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 31161860) is (1R,2R)-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is COCCCN(C)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O.
What is the InChIKey of (1R,2R)-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is BXUTXQWOLSPBAI-SJORKVTESA-N. The full InChI is InChI=1S/C18H28N2O2/c1-20(12-5-13-22-2)16-14-6-3-4-7-15(14)18(17(16)21)8-10-19-11-9-18/h3-4,6-7,16-17,19,21H,5,8-13H2,1-2H3/t16-,17+/m1/s1.
What are the key properties of (1R,2R)-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 304.43 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[3-methoxypropyl(methyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 31161860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).