2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol

C17H35N3O — CID 62614447

IUPAC2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol
SMILESCCNC1CCC(CC)CC1CN1CCN(CCO)CC1
InChIInChI=1S/C17H35N3O/c1-3-15-5-6-17(18-4-2)16(13-15)14-20-9-7-19(8-10-20)11-12-21/h15-18,21H,3-14H2,1-2H3
InChIKeyQPMYKGHSOMICKZ-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.40
Rot. Bonds7

About 2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol

2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol (PubChem CID 62614447) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol
PubChem CID62614447
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol
SMILESCCNC1CCC(CC)CC1CN1CCN(CCO)CC1
InChIInChI=1S/C17H35N3O/c1-3-15-5-6-17(18-4-2)16(13-15)14-20-9-7-19(8-10-20)11-12-21/h15-18,21H,3-14H2,1-2H3
InChIKeyQPMYKGHSOMICKZ-UHFFFAOYSA-N
XLogP1.40
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol (CID 62614447) is 2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol is CCNC1CCC(CC)CC1CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol?
The InChIKey is QPMYKGHSOMICKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-3-15-5-6-17(18-4-2)16(13-15)14-20-9-7-19(8-10-20)11-12-21/h15-18,21H,3-14H2,1-2H3.
What are the key properties of 2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol?
2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol has a molecular weight of 297.49 g/mol, XLogP of 1.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 62614447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).