(1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

C23H25N3O — CID 56891779

IUPAC(1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESN[C@@H]1c2ccccc2C2(CCN(Cc3ccnc4ccccc34)CC2)[C@H]1O
InChIInChI=1S/C23H25N3O/c24-21-18-6-1-3-7-19(18)23(22(21)27)10-13-26(14-11-23)15-16-9-12-25-20-8-4-2-5-17(16)20/h1-9,12,21-22,27H,10-11,13-15,24H2/t21-,22+/m1/s1
InChIKeyKVCCAMRQLXZXJY-YADHBBJMSA-N
MW359.47 g/mol
LogP3.14
Rot. Bonds2

About (1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol

(1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (PubChem CID 56891779) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.

Molecular Properties

Compound Name(1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
PubChem CID56891779
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
SMILESN[C@@H]1c2ccccc2C2(CCN(Cc3ccnc4ccccc34)CC2)[C@H]1O
InChIInChI=1S/C23H25N3O/c24-21-18-6-1-3-7-19(18)23(22(21)27)10-13-26(14-11-23)15-16-9-12-25-20-8-4-2-5-17(16)20/h1-9,12,21-22,27H,10-11,13-15,24H2/t21-,22+/m1/s1
InChIKeyKVCCAMRQLXZXJY-YADHBBJMSA-N
XLogP3.14
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol with MolForge

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Related Compounds

[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-quinolin-5-ylmethanone
CID 56914850
2-[2-[[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]methyl]phenoxy]acetic acid
CID 56895920
(1R,2R)-1-amino-1'-[(5-phenyl-1H-pyrazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56884912
(1R,2R)-1-amino-1'-[(3,5-dimethoxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56896346
(1R,2R)-1-amino-1'-[(3-hydroxyphenyl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56915599
(5R)-9-(quinolin-4-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 124953153
1-(quinolin-4-ylmethyl)piperidin-4-one
CID 79235169
1-[(1R,2R)-1-amino-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 56908939
(1R,2R)-1-amino-1'-[3-(trifluoromethyl)-2-pyridinyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56896094
4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline
CID 106838033
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(quinolin-4-ylmethyl)piperidin-3-ol
CID 28768711
N-[(1R,2R)-2-phenylmethoxy-1'-(quinoxalin-5-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 42164369

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The IUPAC name of (1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol (CID 56891779) is (1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol.
What is the SMILES notation for (1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The canonical SMILES for (1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is N[C@@H]1c2ccccc2C2(CCN(Cc3ccnc4ccccc34)CC2)[C@H]1O.
What is the InChIKey of (1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
The InChIKey is KVCCAMRQLXZXJY-YADHBBJMSA-N. The full InChI is InChI=1S/C23H25N3O/c24-21-18-6-1-3-7-19(18)23(22(21)27)10-13-26(14-11-23)15-16-9-12-25-20-8-4-2-5-17(16)20/h1-9,12,21-22,27H,10-11,13-15,24H2/t21-,22+/m1/s1.
What are the key properties of (1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol?
(1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol has a molecular weight of 359.47 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-amino-1'-(quinolin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol is sourced from PubChem (CID 56891779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).