1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol

C21H31N3O — CID 133401409

IUPAC1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCCc1cc(N(C)CC2CCN(CC(C)O)CC2)c2ccccc2n1
InChIInChI=1S/C21H31N3O/c1-4-18-13-21(19-7-5-6-8-20(19)22-18)23(3)15-17-9-11-24(12-10-17)14-16(2)25/h5-8,13,16-17,25H,4,9-12,14-15H2,1-3H3
InChIKeyRFODXSXIXAWPEH-UHFFFAOYSA-N
MW341.50 g/mol
LogP3.33
Rot. Bonds6

About 1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol

1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol (PubChem CID 133401409) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol
PubChem CID133401409
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol
SMILESCCc1cc(N(C)CC2CCN(CC(C)O)CC2)c2ccccc2n1
InChIInChI=1S/C21H31N3O/c1-4-18-13-21(19-7-5-6-8-20(19)22-18)23(3)15-17-9-11-24(12-10-17)14-16(2)25/h5-8,13,16-17,25H,4,9-12,14-15H2,1-3H3
InChIKeyRFODXSXIXAWPEH-UHFFFAOYSA-N
XLogP3.33
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-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

2-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]-N-methylacetamide
CID 133402186
4-[(2-ethylquinolin-4-yl)-methylamino]butan-2-ol
CID 133402476
[4-[cyclohexylmethyl(methyl)amino]quinolin-2-yl]methanol
CID 63375839
[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]quinolin-2-yl]methanol
CID 79311164
1-[4-[[(2-amino-6-methylpyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 56778041
N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
CID 133402615
(2S)-1-[4-[[methyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 98725832
(2S)-1-[4-[[methyl-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95352032
1-[methyl-(2-methylquinolin-4-yl)amino]propan-2-ol
CID 55060878
2-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 95341234
N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine
CID 63374302
2-(aminomethyl)-N-methyl-N-(1-methylpiperidin-4-yl)quinolin-4-amine
CID 63373861

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol (CID 133401409) is 1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol is CCc1cc(N(C)CC2CCN(CC(C)O)CC2)c2ccccc2n1.
What is the InChIKey of 1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol?
The InChIKey is RFODXSXIXAWPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-4-18-13-21(19-7-5-6-8-20(19)22-18)23(3)15-17-9-11-24(12-10-17)14-16(2)25/h5-8,13,16-17,25H,4,9-12,14-15H2,1-3H3.
What are the key properties of 1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol?
1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol has a molecular weight of 341.50 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[(2-ethylquinolin-4-yl)-methylamino]methyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 133401409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).