cyclohexyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

C19H28N2O — CID 1358513

IUPACcyclohexyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CCCCC3)CC2)c1C
InChIInChI=1S/C19H28N2O/c1-15-7-6-10-18(16(15)2)20-11-13-21(14-12-20)19(22)17-8-4-3-5-9-17/h6-7,10,17H,3-5,8-9,11-14H2,1-2H3
InChIKeyMQBWKOQCAAJIEX-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.53
Rot. Bonds2

About cyclohexyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

cyclohexyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (PubChem CID 1358513) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is cyclohexyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
PubChem CID1358513
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Namecyclohexyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CCCCC3)CC2)c1C
InChIInChI=1S/C19H28N2O/c1-15-7-6-10-18(16(15)2)20-11-13-21(14-12-20)19(22)17-8-4-3-5-9-17/h6-7,10,17H,3-5,8-9,11-14H2,1-2H3
InChIKeyMQBWKOQCAAJIEX-UHFFFAOYSA-N
XLogP3.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone (CID 1358513) is cyclohexyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)C3CCCCC3)CC2)c1C.
What is the InChIKey of cyclohexyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
The InChIKey is MQBWKOQCAAJIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-15-7-6-10-18(16(15)2)20-11-13-21(14-12-20)19(22)17-8-4-3-5-9-17/h6-7,10,17H,3-5,8-9,11-14H2,1-2H3.
What are the key properties of cyclohexyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone has a molecular weight of 300.45 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1358513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).