1-[2-(4-benzylcyclohexyl)oxyethyl]-4-methylsulfonylpiperazine

C20H32N2O3S — CID 139785070

IUPAC1-[2-(4-benzylcyclohexyl)oxyethyl]-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(CCOC2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H32N2O3S/c1-26(23,24)22-13-11-21(12-14-22)15-16-25-20-9-7-19(8-10-20)17-18-5-3-2-4-6-18/h2-6,19-20H,7-17H2,1H3
InChIKeyRIVLADLMSDBHEI-UHFFFAOYSA-N
MW380.55 g/mol
LogP2.38
Rot. Bonds7

About 1-[2-(4-benzylcyclohexyl)oxyethyl]-4-methylsulfonylpiperazine

1-[2-(4-benzylcyclohexyl)oxyethyl]-4-methylsulfonylpiperazine (PubChem CID 139785070) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is 1-[2-(4-benzylcyclohexyl)oxyethyl]-4-methylsulfonylpiperazine.

Molecular Properties

Compound Name1-[2-(4-benzylcyclohexyl)oxyethyl]-4-methylsulfonylpiperazine
PubChem CID139785070
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC Name1-[2-(4-benzylcyclohexyl)oxyethyl]-4-methylsulfonylpiperazine
SMILESCS(=O)(=O)N1CCN(CCOC2CCC(Cc3ccccc3)CC2)CC1
InChIInChI=1S/C20H32N2O3S/c1-26(23,24)22-13-11-21(12-14-22)15-16-25-20-9-7-19(8-10-20)17-18-5-3-2-4-6-18/h2-6,19-20H,7-17H2,1H3
InChIKeyRIVLADLMSDBHEI-UHFFFAOYSA-N
XLogP2.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-benzylcyclohexyl)oxyethyl]-4-methylsulfonylpiperazine?
The IUPAC name of 1-[2-(4-benzylcyclohexyl)oxyethyl]-4-methylsulfonylpiperazine (CID 139785070) is 1-[2-(4-benzylcyclohexyl)oxyethyl]-4-methylsulfonylpiperazine.
What is the SMILES notation for 1-[2-(4-benzylcyclohexyl)oxyethyl]-4-methylsulfonylpiperazine?
The canonical SMILES for 1-[2-(4-benzylcyclohexyl)oxyethyl]-4-methylsulfonylpiperazine is CS(=O)(=O)N1CCN(CCOC2CCC(Cc3ccccc3)CC2)CC1.
What is the InChIKey of 1-[2-(4-benzylcyclohexyl)oxyethyl]-4-methylsulfonylpiperazine?
The InChIKey is RIVLADLMSDBHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c1-26(23,24)22-13-11-21(12-14-22)15-16-25-20-9-7-19(8-10-20)17-18-5-3-2-4-6-18/h2-6,19-20H,7-17H2,1H3.
What are the key properties of 1-[2-(4-benzylcyclohexyl)oxyethyl]-4-methylsulfonylpiperazine?
1-[2-(4-benzylcyclohexyl)oxyethyl]-4-methylsulfonylpiperazine has a molecular weight of 380.55 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-benzylcyclohexyl)oxyethyl]-4-methylsulfonylpiperazine is sourced from PubChem (CID 139785070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).