1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol

C16H21N3O — CID 114681766

IUPAC1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2cc3ccccc3nc2N)CCC1O
InChIInChI=1S/C16H21N3O/c1-11-9-19(7-6-15(11)20)10-13-8-12-4-2-3-5-14(12)18-16(13)17/h2-5,8,11,15,20H,6-7,9-10H2,1H3,(H2,17,18)
InChIKeyASYLVABEQIAJJO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.02
Rot. Bonds2

About 1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol

1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol (PubChem CID 114681766) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol
PubChem CID114681766
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2cc3ccccc3nc2N)CCC1O
InChIInChI=1S/C16H21N3O/c1-11-9-19(7-6-15(11)20)10-13-8-12-4-2-3-5-14(12)18-16(13)17/h2-5,8,11,15,20H,6-7,9-10H2,1H3,(H2,17,18)
InChIKeyASYLVABEQIAJJO-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

Analyze 1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115967098
3-[(3,4-dimethylpiperazin-1-yl)methyl]quinolin-2-amine
CID 63634223
3-(pyrrolidin-1-ylmethyl)quinolin-2-amine
CID 55046492
3-[(4-ethylpiperidin-1-yl)methyl]quinolin-2-amine
CID 62207764
3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol
CID 114502310
1-[(2-aminophenyl)methyl]-3-methylpiperidin-4-ol
CID 114677986
3-[(4-methylpiperazin-1-yl)methyl]quinolin-2-amine
CID 62178935
[1-[(2-chloroquinolin-3-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961489
3-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-2-amine
CID 62182409
[3-[(3,4-dimethylpyrrolidin-1-yl)methyl]quinolin-2-yl]hydrazine
CID 79184116
[1-[(2-aminoquinolin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 62207536
[1-[(2-chloroquinolin-3-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062000

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol (CID 114681766) is 1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol is CC1CN(Cc2cc3ccccc3nc2N)CCC1O.
What is the InChIKey of 1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is ASYLVABEQIAJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-9-19(7-6-15(11)20)10-13-8-12-4-2-3-5-14(12)18-16(13)17/h2-5,8,11,15,20H,6-7,9-10H2,1H3,(H2,17,18).
What are the key properties of 1-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol?
1-[(2-aminoquinolin-3-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-[(2-aminoquinolin-3-yl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114681766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).