2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol

C16H21N3O — CID 105379243

IUPAC2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol
SMILESCc1ccc2cc(C(CO)N3CCNCC3)ccc2n1
InChIInChI=1S/C16H21N3O/c1-12-2-3-13-10-14(4-5-15(13)18-12)16(11-20)19-8-6-17-7-9-19/h2-5,10,16-17,20H,6-9,11H2,1H3
InChIKeyVDMREEZBEHCIGV-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.48
Rot. Bonds3

About 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol

2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol (PubChem CID 105379243) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol
PubChem CID105379243
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol
SMILESCc1ccc2cc(C(CO)N3CCNCC3)ccc2n1
InChIInChI=1S/C16H21N3O/c1-12-2-3-13-10-14(4-5-15(13)18-12)16(11-20)19-8-6-17-7-9-19/h2-5,10,16-17,20H,6-9,11H2,1H3
InChIKeyVDMREEZBEHCIGV-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylquinolin-6-yl)-2-piperazin-1-ylacetic acid
CID 105378911
(2R)-2-naphthalen-2-yl-2-piperazin-1-ylethanol
CID 171183408
(2S)-2-(3,4-dimethylphenyl)-2-piperazin-1-ylethanol
CID 171182918
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
2-(4-fluoro-3-methylphenyl)-2-piperazin-1-ylethanol
CID 62119944
(2R)-2-(3-fluoro-4-methylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171174363
(2S)-2-(3,4-dibromophenyl)-2-piperazin-1-ylethanol
CID 171183258
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
(2R)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183326
(2S)-2-(3,4-dimethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171182890
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol?
The IUPAC name of 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol (CID 105379243) is 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol?
The canonical SMILES for 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol is Cc1ccc2cc(C(CO)N3CCNCC3)ccc2n1.
What is the InChIKey of 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol?
The InChIKey is VDMREEZBEHCIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-2-3-13-10-14(4-5-15(13)18-12)16(11-20)19-8-6-17-7-9-19/h2-5,10,16-17,20H,6-9,11H2,1H3.
What are the key properties of 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol?
2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol has a molecular weight of 271.36 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-6-yl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 105379243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).