2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol

C15H30N2O3S — CID 63002763

IUPAC2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H30N2O3S/c1-3-4-13-5-6-15(18)14(11-13)12-16-7-9-17(10-8-16)21(2,19)20/h13-15,18H,3-12H2,1-2H3
InChIKeyQGRVAUYNQAHFLI-UHFFFAOYSA-N
MW318.48 g/mol
LogP1.14
Rot. Bonds5

About 2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol

2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol (PubChem CID 63002763) has the molecular formula C15H30N2O3S and a molecular weight of 318.48 g/mol. Its IUPAC name is 2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol
PubChem CID63002763
Molecular FormulaC15H30N2O3S
Molecular Weight318.48 g/mol
Exact Mass318.20
IUPAC Name2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(CN2CCN(S(C)(=O)=O)CC2)C1
InChIInChI=1S/C15H30N2O3S/c1-3-4-13-5-6-15(18)14(11-13)12-16-7-9-17(10-8-16)21(2,19)20/h13-15,18H,3-12H2,1-2H3
InChIKeyQGRVAUYNQAHFLI-UHFFFAOYSA-N
XLogP1.14
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.48
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol (CID 63002763) is 2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(CN2CCN(S(C)(=O)=O)CC2)C1.
What is the InChIKey of 2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol?
The InChIKey is QGRVAUYNQAHFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3S/c1-3-4-13-5-6-15(18)14(11-13)12-16-7-9-17(10-8-16)21(2,19)20/h13-15,18H,3-12H2,1-2H3.
What are the key properties of 2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol?
2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol has a molecular weight of 318.48 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 63002763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).