(6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one

C12H16N2O2 — CID 135156130

IUPAC(6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one
SMILESO=C1CN(Cc2ccccc2)C[C@@H](CO)N1
InChIInChI=1S/C12H16N2O2/c15-9-11-7-14(8-12(16)13-11)6-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,13,16)/t11-/m0/s1
InChIKeyPPDBHJIKWGZCBH-NSHDSACASA-N
MW220.27 g/mol
LogP-0.02
Rot. Bonds3

About (6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one

(6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one (PubChem CID 135156130) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one.

Molecular Properties

Compound Name(6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one
PubChem CID135156130
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one
SMILESO=C1CN(Cc2ccccc2)C[C@@H](CO)N1
InChIInChI=1S/C12H16N2O2/c15-9-11-7-14(8-12(16)13-11)6-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,13,16)/t11-/m0/s1
InChIKeyPPDBHJIKWGZCBH-NSHDSACASA-N
XLogP-0.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-4-benzylpiperazin-2-yl]methanol;hydrochloride
CID 155487244
4-(2-chlorophenyl)-6-(hydroxymethyl)piperazin-2-one
CID 117026759
6-(hydroxymethyl)-4-(1-phenylethyl)piperazin-2-one
CID 117026726
4-(2-ethylphenyl)-6-(hydroxymethyl)piperazin-2-one
CID 117026747
(6S)-6-benzyl-4-[2-(1-benzylpiperidin-4-yl)acetyl]piperazin-2-one
CID 137334191
(6S)-6-benzyl-4-[(2-chloro-5-methoxy-4-propoxyphenyl)methyl]piperazin-2-one
CID 137337187
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
1-benzyl-2-methylimidazolidin-4-one
CID 138110115
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
4-acetyl-1-benzylpyrrolidin-3-one
CID 73010900
2-benzyl-1,3,5,6a-tetrahydrocyclopenta[c]pyrrol-6-one
CID 53438354
(6Z)-4-benzyl-6-hydroxyiminopiperazin-2-one
CID 135594368

Frequently Asked Questions

What is the IUPAC name of (6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one?
The IUPAC name of (6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one (CID 135156130) is (6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one.
What is the SMILES notation for (6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one?
The canonical SMILES for (6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one is O=C1CN(Cc2ccccc2)C[C@@H](CO)N1.
What is the InChIKey of (6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one?
The InChIKey is PPDBHJIKWGZCBH-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O2/c15-9-11-7-14(8-12(16)13-11)6-10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,13,16)/t11-/m0/s1.
What are the key properties of (6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one?
(6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one has a molecular weight of 220.27 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-benzyl-6-(hydroxymethyl)piperazin-2-one is sourced from PubChem (CID 135156130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).