(1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C21H32N2O2 — CID 29001303

IUPAC(1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCN(CC1(CO)CCCC1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C21H32N2O2/c1-23(14-20(15-24)8-4-5-9-20)18-16-6-2-3-7-17(16)21(19(18)25)10-12-22-13-11-21/h2-3,6-7,18-19,22,24-25H,4-5,8-15H2,1H3/t18-,19+/m1/s1
InChIKeyPOFZAGZWRCETBF-MOPGFXCFSA-N
MW344.50 g/mol
LogP2.21
Rot. Bonds4

About (1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 29001303) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is (1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID29001303
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name(1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCN(CC1(CO)CCCC1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C21H32N2O2/c1-23(14-20(15-24)8-4-5-9-20)18-16-6-2-3-7-17(16)21(19(18)25)10-12-22-13-11-21/h2-3,6-7,18-19,22,24-25H,4-5,8-15H2,1H3/t18-,19+/m1/s1
InChIKeyPOFZAGZWRCETBF-MOPGFXCFSA-N
XLogP2.21
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 29001303) is (1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is CN(CC1(CO)CCCC1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O.
What is the InChIKey of (1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is POFZAGZWRCETBF-MOPGFXCFSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-23(14-20(15-24)8-4-5-9-20)18-16-6-2-3-7-17(16)21(19(18)25)10-12-22-13-11-21/h2-3,6-7,18-19,22,24-25H,4-5,8-15H2,1H3/t18-,19+/m1/s1.
What are the key properties of (1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 344.50 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[[1-(hydroxymethyl)cyclopentyl]methyl-methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 29001303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).