2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol

C23H28N4O — CID 98579116

IUPAC2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol
SMILESCc1cccc(CN2CCN(Cc3cccc4cccnc34)C[C@H]2CCO)n1
InChIInChI=1S/C23H28N4O/c1-18-5-2-9-21(25-18)16-27-13-12-26(17-22(27)10-14-28)15-20-7-3-6-19-8-4-11-24-23(19)20/h2-9,11,22,28H,10,12-17H2,1H3/t22-/m1/s1
InChIKeyGEXFACXXPSKOFZ-JOCHJYFZSA-N
MW376.50 g/mol
LogP3.01
Rot. Bonds6

About 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol

2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 98579116) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol
PubChem CID98579116
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol
SMILESCc1cccc(CN2CCN(Cc3cccc4cccnc34)C[C@H]2CCO)n1
InChIInChI=1S/C23H28N4O/c1-18-5-2-9-21(25-18)16-27-13-12-26(17-22(27)10-14-28)15-20-7-3-6-19-8-4-11-24-23(19)20/h2-9,11,22,28H,10,12-17H2,1H3/t22-/m1/s1
InChIKeyGEXFACXXPSKOFZ-JOCHJYFZSA-N
XLogP3.01
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

2-ethoxy-6-[[3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]phenol
CID 45232523
2-[(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 98575645
2-[1-[(6-methyl-2-pyridinyl)methyl]-4-[(3-methylsulfanylphenyl)methyl]piperazin-2-yl]ethanol
CID 45221913
2-[(2R)-4-[[3-(2-hydroxyethoxy)phenyl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 98571195
2-[(2S)-1-[(6-methyl-2-pyridinyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-2-yl]ethanol
CID 51635125
2-[1-[(3,4-difluorophenyl)methyl]-4-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 45208876
2-[4-[(E)-3-(4-fluorophenyl)prop-2-enyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 45194648
2-[(2R)-4-[(E)-2-methyl-3-phenylprop-2-enyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 98648561
2-[(2R)-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 98649064
1-[4-[[(3S)-3-(2-hydroxyethyl)-4-[(6-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]thiophen-2-yl]ethanone
CID 28822554
2-[4-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-yl]ethanol
CID 45225906
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol (CID 98579116) is 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol is Cc1cccc(CN2CCN(Cc3cccc4cccnc34)C[C@H]2CCO)n1.
What is the InChIKey of 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is GEXFACXXPSKOFZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H28N4O/c1-18-5-2-9-21(25-18)16-27-13-12-26(17-22(27)10-14-28)15-20-7-3-6-19-8-4-11-24-23(19)20/h2-9,11,22,28H,10,12-17H2,1H3/t22-/m1/s1.
What are the key properties of 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol?
2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 376.50 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(6-methyl-2-pyridinyl)methyl]-4-(quinolin-8-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98579116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).