5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol

C21H29N3O — CID 3470863

IUPAC5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCCCC2)cc(CN2CCCCC2)c2cccnc12
InChIInChI=1S/C21H29N3O/c25-21-18(16-24-12-5-2-6-13-24)14-17(15-23-10-3-1-4-11-23)19-8-7-9-22-20(19)21/h7-9,14,25H,1-6,10-13,15-16H2
InChIKeyQRNCYJJSNNSKAD-UHFFFAOYSA-N
MW339.48 g/mol
LogP3.91
Rot. Bonds4

About 5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol

5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol (PubChem CID 3470863) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol
PubChem CID3470863
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCCCC2)cc(CN2CCCCC2)c2cccnc12
InChIInChI=1S/C21H29N3O/c25-21-18(16-24-12-5-2-6-13-24)14-17(15-23-10-3-1-4-11-23)19-8-7-9-22-20(19)21/h7-9,14,25H,1-6,10-13,15-16H2
InChIKeyQRNCYJJSNNSKAD-UHFFFAOYSA-N
XLogP3.91
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

5-methyl-7-(piperidin-1-ylmethyl)quinolin-8-ol
CID 23765907
5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 716609
5-(ethoxymethyl)-7-(piperidin-1-ylmethyl)quinolin-8-ol
CID 23604739
5-[[4-(4-ethylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 164620822
ethyl 4-[[7-[(4-ethoxycarbonylpiperazin-1-yl)methyl]-8-hydroxyquinolin-5-yl]methyl]piperazine-1-carboxylate
CID 3471245
5-[[4-(4-propan-2-ylphenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 164609585
5-bromo-7-[(4-ethylpiperazin-1-yl)methyl]quinolin-8-ol
CID 18830094
5-(morpholin-4-ylmethyl)-7-prop-2-enylquinolin-8-ol
CID 171541795
5-[[4-(4-nitrophenyl)triazol-2-yl]methyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 164625644
5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride
CID 131888000
8-[(1S,2S)-2-hydroxycyclohexyl]-5-(piperidin-1-ylmethyl)-9H-pyrrolo[3,4-h]quinolin-7-one
CID 71468740
7-bromo-5-[[4-(oxolan-2-yl)piperazin-1-yl]methyl]quinolin-8-ol
CID 171541833

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol?
The IUPAC name of 5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol (CID 3470863) is 5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol?
The canonical SMILES for 5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol is Oc1c(CN2CCCCC2)cc(CN2CCCCC2)c2cccnc12.
What is the InChIKey of 5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol?
The InChIKey is QRNCYJJSNNSKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c25-21-18(16-24-12-5-2-6-13-24)14-17(15-23-10-3-1-4-11-23)19-8-7-9-22-20(19)21/h7-9,14,25H,1-6,10-13,15-16H2.
What are the key properties of 5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol?
5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol has a molecular weight of 339.48 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(piperidin-1-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 3470863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).