[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone

C19H22N2O — CID 129363222

IUPAC[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
SMILESC[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C19H22N2O/c1-16-14-20(15-17-8-4-2-5-9-17)12-13-21(16)19(22)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3/t16-/m0/s1
InChIKeyZIPUSCRDHZGQGV-INIZCTEOSA-N
MW294.40 g/mol
LogP3.03
Rot. Bonds3

About [(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone

[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone (PubChem CID 129363222) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is [(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
PubChem CID129363222
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone
SMILESC[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccccc1
InChIInChI=1S/C19H22N2O/c1-16-14-20(15-17-8-4-2-5-9-17)12-13-21(16)19(22)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3/t16-/m0/s1
InChIKeyZIPUSCRDHZGQGV-INIZCTEOSA-N
XLogP3.03
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-benzyl-2-methylpiperazin-1-yl)-phenylmethanone
CID 10708948
6-[(2R)-4-benzyl-2-methylpiperazine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 136580423
(2S)-4-benzyl-2-methyl-N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]piperazine-1-carboxamide
CID 95788889
3-amino-1-(4-benzyl-2-methylpiperazin-1-yl)butan-1-one
CID 119884612
(3S)-4-benzoyl-3-methylpiperazine-1-carboxylic acid
CID 68755834
(4-benzyl-2-methylpiperazin-1-yl)-[1-(trifluoromethyl)cyclopropyl]methanone
CID 169115361
(4-benzyl-2-methyl-1,4-diazepan-1-yl)-[5-(hydroxymethyl)furan-3-yl]methanone
CID 126824447
1-[(2R)-4-benzyl-2-methylpiperazin-1-yl]-2-piperidin-4-ylethanone
CID 119886406
[(2R)-4-benzyl-2-methylpiperazin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 124840211
3-[[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]benzoic acid
CID 122029240
3-[[(3S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid
CID 45073033
1-(4-benzyl-2-methylpiperazin-1-yl)-3-(2,4,6-trimethylphenyl)propan-1-one
CID 78042643

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone?
The IUPAC name of [(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone (CID 129363222) is [(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone?
The canonical SMILES for [(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone is C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1ccccc1.
What is the InChIKey of [(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone?
The InChIKey is ZIPUSCRDHZGQGV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O/c1-16-14-20(15-17-8-4-2-5-9-17)12-13-21(16)19(22)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3/t16-/m0/s1.
What are the key properties of [(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone?
[(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone has a molecular weight of 294.40 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-benzyl-2-methylpiperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 129363222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).