[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone

C22H28N2O — CID 110658291

IUPAC[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CC(C)N(CCc2ccccc2)C(C)C1
InChIInChI=1S/C22H28N2O/c1-17-9-7-8-12-21(17)22(25)23-15-18(2)24(19(3)16-23)14-13-20-10-5-4-6-11-20/h4-12,18-19H,13-16H2,1-3H3
InChIKeySKGLEDBFYRJCIP-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.77
Rot. Bonds4

About [3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone

[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone (PubChem CID 110658291) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is [3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone
PubChem CID110658291
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC Name[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CC(C)N(CCc2ccccc2)C(C)C1
InChIInChI=1S/C22H28N2O/c1-17-9-7-8-12-21(17)22(25)23-15-18(2)24(19(3)16-23)14-13-20-10-5-4-6-11-20/h4-12,18-19H,13-16H2,1-3H3
InChIKeySKGLEDBFYRJCIP-UHFFFAOYSA-N
XLogP3.77
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one
CID 110393954
(3,4-difluorophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658326
(3,5-dimethoxyphenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110393968
(3-bromophenyl)-[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]methanone
CID 110658298
4-[3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 110658310
2,6-dimethyl-4-(2-methylphenyl)sulfonyl-1-(2-phenylethyl)piperazine
CID 110658390
(2-chlorophenyl)-[4-(2-methoxyethyl)-3,5-dimethylpiperazin-1-yl]methanone
CID 110290214
2-[1-(2-methylbenzoyl)azetidin-3-yl]propanoic acid
CID 116681215
(2-methylphenyl)-[3-(2-methylpropylsulfonyl)azetidin-1-yl]methanone
CID 72718948
(2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone
CID 110644004
N-(3-chlorophenyl)-3,5-dimethyl-4-(2-phenylethyl)piperazine-1-carboxamide
CID 110658318
[3-methyl-4-(2-phenylethyl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110658186

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The IUPAC name of [3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone (CID 110658291) is [3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CC(C)N(CCc2ccccc2)C(C)C1.
What is the InChIKey of [3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone?
The InChIKey is SKGLEDBFYRJCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-17-9-7-8-12-21(17)22(25)23-15-18(2)24(19(3)16-23)14-13-20-10-5-4-6-11-20/h4-12,18-19H,13-16H2,1-3H3.
What are the key properties of [3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone?
[3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone has a molecular weight of 336.48 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-(2-phenylethyl)piperazin-1-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 110658291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).