1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone

C15H22N2O2 — CID 153467077

IUPAC1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
SMILESC[C@@H]1CNC[C@H](C)N1C(=O)Cc1ccc(CO)cc1
InChIInChI=1S/C15H22N2O2/c1-11-8-16-9-12(2)17(11)15(19)7-13-3-5-14(10-18)6-4-13/h3-6,11-12,16,18H,7-10H2,1-2H3/t11-,12+
InChIKeyWBHYTDUWOLQBBP-TXEJJXNPSA-N
MW262.35 g/mol
LogP0.93
Rot. Bonds3

About 1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone

1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone (PubChem CID 153467077) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
PubChem CID153467077
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
SMILESC[C@@H]1CNC[C@H](C)N1C(=O)Cc1ccc(CO)cc1
InChIInChI=1S/C15H22N2O2/c1-11-8-16-9-12(2)17(11)15(19)7-13-3-5-14(10-18)6-4-13/h3-6,11-12,16,18H,7-10H2,1-2H3/t11-,12+
InChIKeyWBHYTDUWOLQBBP-TXEJJXNPSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,6-dimethylpiperazin-1-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 63909222
2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 63910205
1-[(4-chlorophenyl)methyl]-3-[4-[2-(2,6-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]urea
CID 156825259
2-(4-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 16784397
2-(4-aminophenyl)-1-[(3S,5S)-3,5-dimethylmorpholin-4-yl]ethanone
CID 124694893
1-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenyl)ethanone;ethane
CID 145332468
1-(2,6-dimethylpiperazin-1-yl)-2-phenylsulfanylethanone
CID 63909611
2-amino-1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]ethanone;hydrochloride
CID 130670860
1-(3,5-dimethylmorpholin-4-yl)-2-(4-methoxyphenyl)ethanone
CID 110292319
(4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
CID 69141542
2-(4-fluorophenyl)-1-(2-methyl-1,4-diazepan-1-yl)ethanone
CID 82244872
2-(4-chlorophenyl)-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119473269

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone (CID 153467077) is 1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone is C[C@@H]1CNC[C@H](C)N1C(=O)Cc1ccc(CO)cc1.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
The InChIKey is WBHYTDUWOLQBBP-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-8-16-9-12(2)17(11)15(19)7-13-3-5-14(10-18)6-4-13/h3-6,11-12,16,18H,7-10H2,1-2H3/t11-,12+.
What are the key properties of 1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone?
1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone has a molecular weight of 262.35 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylpiperazin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone is sourced from PubChem (CID 153467077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).