1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol

C16H21N3O — CID 114677852

IUPAC1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2ccc(N)c3cccnc23)CCC1O
InChIInChI=1S/C16H21N3O/c1-11-9-19(8-6-15(11)20)10-12-4-5-14(17)13-3-2-7-18-16(12)13/h2-5,7,11,15,20H,6,8-10,17H2,1H3
InChIKeyMVEQALKWTQZZFK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.02
Rot. Bonds2

About 1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol

1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol (PubChem CID 114677852) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol
PubChem CID114677852
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2ccc(N)c3cccnc23)CCC1O
InChIInChI=1S/C16H21N3O/c1-11-9-19(8-6-15(11)20)10-12-4-5-14(17)13-3-2-7-18-16(12)13/h2-5,7,11,15,20H,6,8-10,17H2,1H3
InChIKeyMVEQALKWTQZZFK-UHFFFAOYSA-N
XLogP2.02
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine
CID 43375420
8-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-5-amine
CID 43585624
1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol
CID 106835491
1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol
CID 114677986
1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine
CID 115959704
1-[(2-methoxy-3-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502539
8-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)quinolin-5-amine
CID 63015654
8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine
CID 102882733
1-[(5-bromoquinolin-8-yl)methyl]-3-ethylpiperidin-4-amine
CID 115959744
1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one
CID 62490120
1-[(5-fluoroquinolin-8-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493159
8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
CID 43375606

Frequently Asked Questions

What is the IUPAC name of 1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol (CID 114677852) is 1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol is CC1CN(Cc2ccc(N)c3cccnc23)CCC1O.
What is the InChIKey of 1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is MVEQALKWTQZZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-9-19(8-6-15(11)20)10-12-4-5-14(17)13-3-2-7-18-16(12)13/h2-5,7,11,15,20H,6,8-10,17H2,1H3.
What are the key properties of 1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol?
1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 271.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114677852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).