1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone

C15H23N3O2 — CID 124502067

IUPAC1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC[C@@H](O)c1cnc(N2CCN(C(C)=O)CC2)cc1C
InChIInChI=1S/C15H23N3O2/c1-4-14(20)13-10-16-15(9-11(13)2)18-7-5-17(6-8-18)12(3)19/h9-10,14,20H,4-8H2,1-3H3/t14-/m1/s1
InChIKeyZOXHULARUZHTNE-CQSZACIVSA-N
MW277.37 g/mol
LogP1.50
Rot. Bonds3

About 1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone

1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 124502067) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID124502067
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC[C@@H](O)c1cnc(N2CCN(C(C)=O)CC2)cc1C
InChIInChI=1S/C15H23N3O2/c1-4-14(20)13-10-16-15(9-11(13)2)18-7-5-17(6-8-18)12(3)19/h9-10,14,20H,4-8H2,1-3H3/t14-/m1/s1
InChIKeyZOXHULARUZHTNE-CQSZACIVSA-N
XLogP1.50
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

tert-butyl 4-[5-(1-hydroxypropyl)-4-methyl-2-pyridinyl]piperazine-1-carboxylate
CID 102545634
1-[4-[5-[(1S)-1-aminoethyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 124502071
1-[4-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 102545701
(1S)-1-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methyl-3-pyridinyl]propan-1-ol
CID 124502142
1-[4-(5-amino-4-methyl-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 79176493
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]propan-1-ol
CID 102545827
(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)ethanol
CID 124501974
1-[4-[5-[(1R)-1-aminopropyl]-6-methyl-2-pyridinyl]piperazin-1-yl]ethanone
CID 124502587
(1S)-1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine
CID 124501981
1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine
CID 102545557
4-methyl-6-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 102545588
1-[4-[5-(3-methylsulfanylphenyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 167219049

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone (CID 124502067) is 1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone is CC[C@@H](O)c1cnc(N2CCN(C(C)=O)CC2)cc1C.
What is the InChIKey of 1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is ZOXHULARUZHTNE-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-14(20)13-10-16-15(9-11(13)2)18-7-5-17(6-8-18)12(3)19/h9-10,14,20H,4-8H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone?
1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 277.37 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(1R)-1-hydroxypropyl]-4-methyl-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 124502067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).