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

C22H35N3O2 — CID 30876916

IUPAC(1R,2R)-1-[methyl(4-morpholin-4-ylbutyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCN(CCCCN1CCOCC1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C22H35N3O2/c1-24(12-4-5-13-25-14-16-27-17-15-25)20-18-6-2-3-7-19(18)22(21(20)26)8-10-23-11-9-22/h2-3,6-7,20-21,23,26H,4-5,8-17H2,1H3/t20-,21+/m1/s1
InChIKeyIIVOIQPRMLOWNJ-RTWAWAEBSA-N
MW373.54 g/mol
LogP1.77
Rot. Bonds6

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

(1R,2R)-1-[methyl(4-morpholin-4-ylbutyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 30876916) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is (1R,2R)-1-[methyl(4-morpholin-4-ylbutyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[methyl(4-morpholin-4-ylbutyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID30876916
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name(1R,2R)-1-[methyl(4-morpholin-4-ylbutyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCN(CCCCN1CCOCC1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C22H35N3O2/c1-24(12-4-5-13-25-14-16-27-17-15-25)20-18-6-2-3-7-19(18)22(21(20)26)8-10-23-11-9-22/h2-3,6-7,20-21,23,26H,4-5,8-17H2,1H3/t20-,21+/m1/s1
InChIKeyIIVOIQPRMLOWNJ-RTWAWAEBSA-N
XLogP1.77
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[methyl(4-morpholin-4-ylbutyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[methyl(4-morpholin-4-ylbutyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 30876916) is (1R,2R)-1-[methyl(4-morpholin-4-ylbutyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[methyl(4-morpholin-4-ylbutyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[methyl(4-morpholin-4-ylbutyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is CN(CCCCN1CCOCC1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O.
What is the InChIKey of (1R,2R)-1-[methyl(4-morpholin-4-ylbutyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is IIVOIQPRMLOWNJ-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-24(12-4-5-13-25-14-16-27-17-15-25)20-18-6-2-3-7-19(18)22(21(20)26)8-10-23-11-9-22/h2-3,6-7,20-21,23,26H,4-5,8-17H2,1H3/t20-,21+/m1/s1.
What are the key properties of (1R,2R)-1-[methyl(4-morpholin-4-ylbutyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[methyl(4-morpholin-4-ylbutyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 373.54 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[methyl(4-morpholin-4-ylbutyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 30876916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).