1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol

C16H21N3O — CID 61434840

IUPAC1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol
SMILESCNCc1cc2ccccc2nc1N1CCCC(O)C1
InChIInChI=1S/C16H21N3O/c1-17-10-13-9-12-5-2-3-7-15(12)18-16(13)19-8-4-6-14(20)11-19/h2-3,5,7,9,14,17,20H,4,6,8,10-11H2,1H3
InChIKeyDERSETYWGFRLSH-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.92
Rot. Bonds3

About 1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol

1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol (PubChem CID 61434840) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol
PubChem CID61434840
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol
SMILESCNCc1cc2ccccc2nc1N1CCCC(O)C1
InChIInChI=1S/C16H21N3O/c1-17-10-13-9-12-5-2-3-7-15(12)18-16(13)19-8-4-6-14(20)11-19/h2-3,5,7,9,14,17,20H,4,6,8,10-11H2,1H3
InChIKeyDERSETYWGFRLSH-UHFFFAOYSA-N
XLogP1.92
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol
CID 62941726
N-methyl-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
CID 43281139
1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281388
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)quinolin-3-yl]-N-methylmethanamine
CID 115560704
(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
CID 95034913
1-[1-[3-(methylaminomethyl)quinolin-2-yl]pyrrolidin-3-yl]ethanol
CID 115965646
1-[2-(3,5-dimethylpiperidin-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281052
(3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol
CID 71648045
N-methyl-1-[2-(2-methylpiperidin-1-yl)quinolin-3-yl]methanamine
CID 43280386
1-[7-chloro-3-[(2-methylpropylamino)methyl]quinolin-2-yl]piperidin-3-ol
CID 45168438
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43281135
ethyl 1-[3-(hydroxymethyl)quinolin-2-yl]piperidine-3-carboxylate
CID 91662062

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol?
The IUPAC name of 1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol (CID 61434840) is 1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol is CNCc1cc2ccccc2nc1N1CCCC(O)C1.
What is the InChIKey of 1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol?
The InChIKey is DERSETYWGFRLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-10-13-9-12-5-2-3-7-15(12)18-16(13)19-8-4-6-14(20)11-19/h2-3,5,7,9,14,17,20H,4,6,8,10-11H2,1H3.
What are the key properties of 1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol?
1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol has a molecular weight of 271.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol is sourced from PubChem (CID 61434840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).