(1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C22H33N3O — CID 133116592

IUPAC(1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@@H]1[C@@H](N2CCC(N3CCCC3)CC2)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H33N3O/c26-21-20(25-15-7-17(8-16-25)24-13-3-4-14-24)18-5-1-2-6-19(18)22(21)9-11-23-12-10-22/h1-2,5-6,17,20-21,23,26H,3-4,7-16H2/t20-,21+/m0/s1
InChIKeyPQEJSFWDCNQKCV-LEWJYISDSA-N
MW355.53 g/mol
LogP2.28
Rot. Bonds2

About (1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 133116592) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is (1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID133116592
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name(1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@@H]1[C@@H](N2CCC(N3CCCC3)CC2)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H33N3O/c26-21-20(25-15-7-17(8-16-25)24-13-3-4-14-24)18-5-1-2-6-19(18)22(21)9-11-23-12-10-22/h1-2,5-6,17,20-21,23,26H,3-4,7-16H2/t20-,21+/m0/s1
InChIKeyPQEJSFWDCNQKCV-LEWJYISDSA-N
XLogP2.28
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R)-1-morpholin-4-ylspiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 30882023
(1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 31192833
(1R,2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 30957280
(1S,2R)-spiro[1,2-dihydroindene-3,4'-piperidine]-1,2-diol
CID 131859580
2-[4-[(1R,2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]piperazin-1-yl]benzonitrile
CID 30937418
(1R,2R)-1-[4-(2,2-dimethoxyethyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 28954987
(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-(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)-2-hydroxy-1-pyrrolidin-1-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 30881837
(1S,2S)-1-(5,6-dimethylbenzimidazol-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133128337
(1S,2S)-1-[4-(2-fluorophenyl)triazol-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 133121224

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 133116592) is (1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is O[C@@H]1[C@@H](N2CCC(N3CCCC3)CC2)c2ccccc2C12CCNCC2.
What is the InChIKey of (1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is PQEJSFWDCNQKCV-LEWJYISDSA-N. The full InChI is InChI=1S/C22H33N3O/c26-21-20(25-15-7-17(8-16-25)24-13-3-4-14-24)18-5-1-2-6-19(18)22(21)9-11-23-12-10-22/h1-2,5-6,17,20-21,23,26H,3-4,7-16H2/t20-,21+/m0/s1.
What are the key properties of (1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 355.53 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 133116592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).