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

C23H30N4O — CID 29028308

IUPAC(1R,2R)-1-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCc1cc(N2CCN([C@@H]3c4ccccc4C4(CCNCC4)[C@H]3O)CC2)ccn1
InChIInChI=1S/C23H30N4O/c1-17-16-18(6-9-25-17)26-12-14-27(15-13-26)21-19-4-2-3-5-20(19)23(22(21)28)7-10-24-11-8-23/h2-6,9,16,21-22,24,28H,7-8,10-15H2,1H3/t21-,22+/m1/s1
InChIKeyWMFVECSCVXXVHM-YADHBBJMSA-N
MW378.52 g/mol
LogP2.25
Rot. Bonds2

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

(1R,2R)-1-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 29028308) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is (1R,2R)-1-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID29028308
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name(1R,2R)-1-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESCc1cc(N2CCN([C@@H]3c4ccccc4C4(CCNCC4)[C@H]3O)CC2)ccn1
InChIInChI=1S/C23H30N4O/c1-17-16-18(6-9-25-17)26-12-14-27(15-13-26)21-19-4-2-3-5-20(19)23(22(21)28)7-10-24-11-8-23/h2-6,9,16,21-22,24,28H,7-8,10-15H2,1H3/t21-,22+/m1/s1
InChIKeyWMFVECSCVXXVHM-YADHBBJMSA-N
XLogP2.25
TPSA51.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.25
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-(2-methyl-4-pyridinyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 29028308) is (1R,2R)-1-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is Cc1cc(N2CCN([C@@H]3c4ccccc4C4(CCNCC4)[C@H]3O)CC2)ccn1.
What is the InChIKey of (1R,2R)-1-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is WMFVECSCVXXVHM-YADHBBJMSA-N. The full InChI is InChI=1S/C23H30N4O/c1-17-16-18(6-9-25-17)26-12-14-27(15-13-26)21-19-4-2-3-5-20(19)23(22(21)28)7-10-24-11-8-23/h2-6,9,16,21-22,24,28H,7-8,10-15H2,1H3/t21-,22+/m1/s1.
What are the key properties of (1R,2R)-1-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 378.52 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 29028308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).