cyclohexyl-[4-(2-methylphenyl)piperazin-1-yl]methanone

C18H26N2O — CID 2243436

IUPACcyclohexyl-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H26N2O/c1-15-7-5-6-10-17(15)19-11-13-20(14-12-19)18(21)16-8-3-2-4-9-16/h5-7,10,16H,2-4,8-9,11-14H2,1H3
InChIKeySIKWTJGSTZBAFY-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.22
Rot. Bonds2

About cyclohexyl-[4-(2-methylphenyl)piperazin-1-yl]methanone

cyclohexyl-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 2243436) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is cyclohexyl-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID2243436
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Namecyclohexyl-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCc1ccccc1N1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C18H26N2O/c1-15-7-5-6-10-17(15)19-11-13-20(14-12-19)18(21)16-8-3-2-4-9-16/h5-7,10,16H,2-4,8-9,11-14H2,1H3
InChIKeySIKWTJGSTZBAFY-UHFFFAOYSA-N
XLogP3.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 2243436) is cyclohexyl-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(2-methylphenyl)piperazin-1-yl]methanone is Cc1ccccc1N1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is SIKWTJGSTZBAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-15-7-5-6-10-17(15)19-11-13-20(14-12-19)18(21)16-8-3-2-4-9-16/h5-7,10,16H,2-4,8-9,11-14H2,1H3.
What are the key properties of cyclohexyl-[4-(2-methylphenyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 286.42 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 2243436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).