1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol

C16H21N3O — CID 102955884

IUPAC1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol
SMILESCC1CCN(c2cc(CN)c3ccccc3n2)CC1O
InChIInChI=1S/C16H21N3O/c1-11-6-7-19(10-15(11)20)16-8-12(9-17)13-4-2-3-5-14(13)18-16/h2-5,8,11,15,20H,6-7,9-10,17H2,1H3
InChIKeyYGEKIHVBGKLIRQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.90
Rot. Bonds2

About 1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol

1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol (PubChem CID 102955884) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol
PubChem CID102955884
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol
SMILESCC1CCN(c2cc(CN)c3ccccc3n2)CC1O
InChIInChI=1S/C16H21N3O/c1-11-6-7-19(10-15(11)20)16-8-12(9-17)13-4-2-3-5-14(13)18-16/h2-5,8,11,15,20H,6-7,9-10,17H2,1H3
InChIKeyYGEKIHVBGKLIRQ-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dimethylpyrrolidin-1-yl)quinolin-4-yl]methanamine
CID 79182765
[2-(4-ethylpiperidin-1-yl)quinolin-4-yl]methanamine
CID 62285192
[2-(2,6-dimethylmorpholin-4-yl)quinolin-4-yl]methanamine
CID 62299635
4-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-2-carboxylic acid
CID 102958619
[2-[4-(dimethylamino)piperidin-1-yl]quinolin-4-yl]methanol
CID 61256254
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline
CID 61257807
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol
CID 56875982
1-[6-(hydroxymethyl)-2-pyridinyl]-4-methylpiperidin-3-ol
CID 102964194
[1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol
CID 61252810
1-cinnolin-4-yl-4-methylpiperidin-3-ol
CID 102959211
1-[1-[4-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62888014
4-methyl-1-(2-methylpyrimidin-4-yl)piperidin-3-ol
CID 103896105

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol (CID 102955884) is 1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol is CC1CCN(c2cc(CN)c3ccccc3n2)CC1O.
What is the InChIKey of 1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol?
The InChIKey is YGEKIHVBGKLIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-6-7-19(10-15(11)20)16-8-12(9-17)13-4-2-3-5-14(13)18-16/h2-5,8,11,15,20H,6-7,9-10,17H2,1H3.
What are the key properties of 1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol?
1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol has a molecular weight of 271.36 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)quinolin-2-yl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102955884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).