(1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C21H33N3O3 — CID 28954987

IUPAC(1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCOC(CN1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1)OC
InChIInChI=1S/C21H33N3O3/c1-26-18(27-2)15-23-11-13-24(14-12-23)19-16-5-3-4-6-17(16)21(20(19)25)7-9-22-10-8-21/h3-6,18-20,22,25H,7-15H2,1-2H3/t19-,20+/m1/s1
InChIKeyNQIISIOUMNGZFB-UXHICEINSA-N
MW375.51 g/mol
LogP0.96
Rot. Bonds5

About (1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 28954987) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is (1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID28954987
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name(1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCOC(CN1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1)OC
InChIInChI=1S/C21H33N3O3/c1-26-18(27-2)15-23-11-13-24(14-12-23)19-16-5-3-4-6-17(16)21(20(19)25)7-9-22-10-8-21/h3-6,18-20,22,25H,7-15H2,1-2H3/t19-,20+/m1/s1
InChIKeyNQIISIOUMNGZFB-UXHICEINSA-N
XLogP0.96
TPSA57.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R,2R)-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 30882023
(1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133116592
2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile
CID 30937418
(1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 30957280
(1R,2R)-1-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 29028308
(1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31192833
(1S,2R)-spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
CID 131859580
(1R,2R)-1-(6-methylsulfanyl-3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31125898
(1S,2S)-1-[4-(aminomethyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133128985
(1R,2R)-1-[(3,4-dimethoxyphenyl)methylamino]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56896122
(1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133128337
1-(azetidin-3-yl)-4-(2,2-dimethoxyethyl)piperazine
CID 81093537

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 28954987) is (1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is COC(CN1CCN([C@@H]2c3ccccc3C3(CCNCC3)[C@H]2O)CC1)OC.
What is the InChIKey of (1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is NQIISIOUMNGZFB-UXHICEINSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-26-18(27-2)15-23-11-13-24(14-12-23)19-16-5-3-4-6-17(16)21(20(19)25)7-9-22-10-8-21/h3-6,18-20,22,25H,7-15H2,1-2H3/t19-,20+/m1/s1.
What are the key properties of (1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 375.51 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 28954987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).