4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol

C16H32N2O — CID 55116782

IUPAC4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(N2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C16H32N2O/c1-4-14-5-6-16(19)15(11-14)18-9-7-17(8-10-18)12-13(2)3/h13-16,19H,4-12H2,1-3H3
InChIKeyGTBMUTOJIKCXMR-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.20
Rot. Bonds4

About 4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol

4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol (PubChem CID 55116782) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol
PubChem CID55116782
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(N2CCN(CC(C)C)CC2)C1
InChIInChI=1S/C16H32N2O/c1-4-14-5-6-16(19)15(11-14)18-9-7-17(8-10-18)12-13(2)3/h13-16,19H,4-12H2,1-3H3
InChIKeyGTBMUTOJIKCXMR-UHFFFAOYSA-N
XLogP2.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol (CID 55116782) is 4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol is CCC1CCC(O)C(N2CCN(CC(C)C)CC2)C1.
What is the InChIKey of 4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol?
The InChIKey is GTBMUTOJIKCXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-14-5-6-16(19)15(11-14)18-9-7-17(8-10-18)12-13(2)3/h13-16,19H,4-12H2,1-3H3.
What are the key properties of 4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol?
4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 55116782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).