(1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C22H30N4O — CID 31192833

IUPAC(1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](N2CCC(Cn3cccn3)CC2)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H30N4O/c27-21-20(25-14-6-17(7-15-25)16-26-13-3-10-24-26)18-4-1-2-5-19(18)22(21)8-11-23-12-9-22/h1-5,10,13,17,20-21,23,27H,6-9,11-12,14-16H2/t20-,21+/m1/s1
InChIKeyHFDAITJLSUPVBD-RTWAWAEBSA-N
MW366.51 g/mol
LogP2.33
Rot. Bonds3

About (1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 31192833) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID31192833
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESO[C@H]1[C@H](N2CCC(Cn3cccn3)CC2)c2ccccc2C12CCNCC2
InChIInChI=1S/C22H30N4O/c27-21-20(25-14-6-17(7-15-25)16-26-13-3-10-24-26)18-4-1-2-5-19(18)22(21)8-11-23-12-9-22/h1-5,10,13,17,20-21,23,27H,6-9,11-12,14-16H2/t20-,21+/m1/s1
InChIKeyHFDAITJLSUPVBD-RTWAWAEBSA-N
XLogP2.33
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 31192833) is (1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is O[C@H]1[C@H](N2CCC(Cn3cccn3)CC2)c2ccccc2C12CCNCC2.
What is the InChIKey of (1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is HFDAITJLSUPVBD-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H30N4O/c27-21-20(25-14-6-17(7-15-25)16-26-13-3-10-24-26)18-4-1-2-5-19(18)22(21)8-11-23-12-9-22/h1-5,10,13,17,20-21,23,27H,6-9,11-12,14-16H2/t20-,21+/m1/s1.
What are the key properties of (1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 366.51 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 31192833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).