2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol

C15H25N3O — CID 98677649

IUPAC2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2ccncc2)C[C@H]1CCO
InChIInChI=1S/C15H25N3O/c1-13(2)18-9-8-17(12-15(18)5-10-19)11-14-3-6-16-7-4-14/h3-4,6-7,13,15,19H,5,8-12H2,1-2H3/t15-/m1/s1
InChIKeyFJJIPBRCIWZZCZ-OAHLLOKOSA-N
MW263.38 g/mol
LogP1.36
Rot. Bonds5

About 2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol

2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol (PubChem CID 98677649) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
PubChem CID98677649
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCN(Cc2ccncc2)C[C@H]1CCO
InChIInChI=1S/C15H25N3O/c1-13(2)18-9-8-17(12-15(18)5-10-19)11-14-3-6-16-7-4-14/h3-4,6-7,13,15,19H,5,8-12H2,1-2H3/t15-/m1/s1
InChIKeyFJJIPBRCIWZZCZ-OAHLLOKOSA-N
XLogP1.36
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 45173043
N-[4-[[(3R)-3-(2-hydroxyethyl)-4-propan-2-ylpiperazin-1-yl]methyl]phenyl]acetamide
CID 98589494
2-[(2R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)piperazin-2-yl]ethanol
CID 98770541
2-[(2S)-4-[[4-(N-methylanilino)phenyl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 51636089
2-[4-[(3-chloro-4,5-dimethoxyphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 45189192
(2S)-N-methyl-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazine-2-carboxamide
CID 124807912
2-[(2S)-4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 29212798
2-[(2S)-4-[(2-methoxyphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 30673763
2-[(2R)-4-[(2,5-difluorophenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98573073
2-[1-[(3,4-difluorophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 45224474
2-[(2R)-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 51901854
2-[4-[(2,5-dimethoxyphenyl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 45185218

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol (CID 98677649) is 2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol is CC(C)N1CCN(Cc2ccncc2)C[C@H]1CCO.
What is the InChIKey of 2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol?
The InChIKey is FJJIPBRCIWZZCZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(2)18-9-8-17(12-15(18)5-10-19)11-14-3-6-16-7-4-14/h3-4,6-7,13,15,19H,5,8-12H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol?
2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol has a molecular weight of 263.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-propan-2-yl-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98677649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).