2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol

C21H30ClN3O — CID 45189597

IUPAC2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)(C)CN1CCN(Cc2ccc3cc(Cl)ccc3n2)CC1CCO
InChIInChI=1S/C21H30ClN3O/c1-21(2,3)15-25-10-9-24(14-19(25)8-11-26)13-18-6-4-16-12-17(22)5-7-20(16)23-18/h4-7,12,19,26H,8-11,13-15H2,1-3H3
InChIKeySMALIVJMNODNRI-UHFFFAOYSA-N
MW375.94 g/mol
LogP3.80
Rot. Bonds5

About 2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol

2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol (PubChem CID 45189597) has the molecular formula C21H30ClN3O and a molecular weight of 375.94 g/mol. Its IUPAC name is 2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
PubChem CID45189597
Molecular FormulaC21H30ClN3O
Molecular Weight375.94 g/mol
Exact Mass375.21
IUPAC Name2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
SMILESCC(C)(C)CN1CCN(Cc2ccc3cc(Cl)ccc3n2)CC1CCO
InChIInChI=1S/C21H30ClN3O/c1-21(2,3)15-25-10-9-24(14-19(25)8-11-26)13-18-6-4-16-12-17(22)5-7-20(16)23-18/h4-7,12,19,26H,8-11,13-15H2,1-3H3
InChIKeySMALIVJMNODNRI-UHFFFAOYSA-N
XLogP3.80
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol with MolForge

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Related Compounds

2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[(6-fluoroquinolin-2-yl)methyl]piperazin-2-yl]ethanol
CID 23723757
2-[1-(2,2-dimethylpropyl)-4-[(4-ethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45211012
2-[(2R)-4-(1-benzofuran-2-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
CID 100579221
4-[(3R)-1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]morpholine
CID 29086432
2-[1-(2,2-dimethylpropyl)-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45205517
2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 45208876
6-chloro-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]quinoline
CID 74247744
ethyl 4-[1-[(6-chloroquinolin-2-yl)methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45240787
2-[(2R)-1-(2,2-dimethylpropyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51903120
2-[(2R)-4-(1,3-benzodioxol-4-ylmethyl)-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol
CID 98582976
2-[(2S)-4-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 29151767
2-[(2R)-4-(2,2-dimethylpropyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51902403

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol (CID 45189597) is 2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol is CC(C)(C)CN1CCN(Cc2ccc3cc(Cl)ccc3n2)CC1CCO.
What is the InChIKey of 2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol?
The InChIKey is SMALIVJMNODNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O/c1-21(2,3)15-25-10-9-24(14-19(25)8-11-26)13-18-6-4-16-12-17(22)5-7-20(16)23-18/h4-7,12,19,26H,8-11,13-15H2,1-3H3.
What are the key properties of 2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol?
2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol has a molecular weight of 375.94 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloroquinolin-2-yl)methyl]-1-(2,2-dimethylpropyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45189597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).