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

C21H33N3O — CID 29256289

IUPAC(1R,2R)-1-[methyl(3-pyrrolidin-1-ylpropyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCN(CCCN1CCCC1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C21H33N3O/c1-23(13-6-16-24-14-4-5-15-24)19-17-7-2-3-8-18(17)21(20(19)25)9-11-22-12-10-21/h2-3,7-8,19-20,22,25H,4-6,9-16H2,1H3/t19-,20+/m1/s1
InChIKeyDPBCNGPPVXSCLC-UXHICEINSA-N
MW343.52 g/mol
LogP2.14
Rot. Bonds5

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

(1R,2R)-1-[methyl(3-pyrrolidin-1-ylpropyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 29256289) has the molecular formula C21H33N3O and a molecular weight of 343.52 g/mol. Its IUPAC name is (1R,2R)-1-[methyl(3-pyrrolidin-1-ylpropyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[methyl(3-pyrrolidin-1-ylpropyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID29256289
Molecular FormulaC21H33N3O
Molecular Weight343.52 g/mol
Exact Mass343.26
IUPAC Name(1R,2R)-1-[methyl(3-pyrrolidin-1-ylpropyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCN(CCCN1CCCC1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O
InChIInChI=1S/C21H33N3O/c1-23(13-6-16-24-14-4-5-15-24)19-17-7-2-3-8-18(17)21(20(19)25)9-11-22-12-10-21/h2-3,7-8,19-20,22,25H,4-6,9-16H2,1H3/t19-,20+/m1/s1
InChIKeyDPBCNGPPVXSCLC-UXHICEINSA-N
XLogP2.14
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[methyl(3-pyrrolidin-1-ylpropyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[methyl(3-pyrrolidin-1-ylpropyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 29256289) is (1R,2R)-1-[methyl(3-pyrrolidin-1-ylpropyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[methyl(3-pyrrolidin-1-ylpropyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[methyl(3-pyrrolidin-1-ylpropyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is CN(CCCN1CCCC1)[C@@H]1c2ccccc2C2(CCNCC2)[C@H]1O.
What is the InChIKey of (1R,2R)-1-[methyl(3-pyrrolidin-1-ylpropyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is DPBCNGPPVXSCLC-UXHICEINSA-N. The full InChI is InChI=1S/C21H33N3O/c1-23(13-6-16-24-14-4-5-15-24)19-17-7-2-3-8-18(17)21(20(19)25)9-11-22-12-10-21/h2-3,7-8,19-20,22,25H,4-6,9-16H2,1H3/t19-,20+/m1/s1.
What are the key properties of (1R,2R)-1-[methyl(3-pyrrolidin-1-ylpropyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[methyl(3-pyrrolidin-1-ylpropyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 343.52 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[methyl(3-pyrrolidin-1-ylpropyl)amino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 29256289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).