4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one

C11H15N3O2 — CID 83131847

IUPAC4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one
SMILESC[C@H](O)c1ccc(N2CCNC(=O)C2)cn1
InChIInChI=1S/C11H15N3O2/c1-8(15)10-3-2-9(6-13-10)14-5-4-12-11(16)7-14/h2-3,6,8,15H,4-5,7H2,1H3,(H,12,16)/t8-/m0/s1
InChIKeyQSIPRWWOFLZRLQ-QMMMGPOBSA-N
MW221.26 g/mol
LogP0.07
Rot. Bonds2

About 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one

4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one (PubChem CID 83131847) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one.

Molecular Properties

Compound Name4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one
PubChem CID83131847
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one
SMILESC[C@H](O)c1ccc(N2CCNC(=O)C2)cn1
InChIInChI=1S/C11H15N3O2/c1-8(15)10-3-2-9(6-13-10)14-5-4-12-11(16)7-14/h2-3,6,8,15H,4-5,7H2,1H3,(H,12,16)/t8-/m0/s1
InChIKeyQSIPRWWOFLZRLQ-QMMMGPOBSA-N
XLogP0.07
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one
CID 112584096
1-[6-(1-aminoethyl)-3-pyridinyl]-1,4-diazepan-5-one
CID 83127452
4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]-3,3-dimethylpiperazin-2-one
CID 83131641
(1S)-1-[5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-pyridinyl]ethanol
CID 83132492
1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 83131846
1-[6-[(1R)-1-hydroxyethyl]-3-pyridinyl]-4-methylpiperidin-4-ol
CID 83132184
1-[5-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyridinyl]ethanol
CID 83132282
(1S)-1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]ethanol
CID 83132436
1-[5-[4-(4-bromophenyl)piperazin-1-yl]-2-pyridinyl]ethanol
CID 137407156
4-(4-ethylphenyl)piperazin-2-one
CID 117005105
4-[4-[(propan-2-ylamino)methyl]phenyl]piperazin-2-one
CID 43281162
1-[6-(1-hydroxyethyl)-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102959859

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one?
The IUPAC name of 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one (CID 83131847) is 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one.
What is the SMILES notation for 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one?
The canonical SMILES for 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one is C[C@H](O)c1ccc(N2CCNC(=O)C2)cn1.
What is the InChIKey of 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one?
The InChIKey is QSIPRWWOFLZRLQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8(15)10-3-2-9(6-13-10)14-5-4-12-11(16)7-14/h2-3,6,8,15H,4-5,7H2,1H3,(H,12,16)/t8-/m0/s1.
What are the key properties of 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one?
4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-2-one is sourced from PubChem (CID 83131847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).