2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol

C18H36N2O — CID 106250807

IUPAC2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCCCC1C1CCCCN1
InChIInChI=1S/C18H36N2O/c1-3-18(4-2,14-21)13-20-17-10-6-5-9-15(17)16-11-7-8-12-19-16/h15-17,19-21H,3-14H2,1-2H3
InChIKeyOAWUDWIELWZGEW-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.08
Rot. Bonds7

About 2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol

2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol (PubChem CID 106250807) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol
PubChem CID106250807
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol
SMILESCCC(CC)(CO)CNC1CCCCC1C1CCCCN1
InChIInChI=1S/C18H36N2O/c1-3-18(4-2,14-21)13-20-17-10-6-5-9-15(17)16-11-7-8-12-19-16/h15-17,19-21H,3-14H2,1-2H3
InChIKeyOAWUDWIELWZGEW-UHFFFAOYSA-N
XLogP3.08
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol (CID 106250807) is 2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol is CCC(CC)(CO)CNC1CCCCC1C1CCCCN1.
What is the InChIKey of 2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol?
The InChIKey is OAWUDWIELWZGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-3-18(4-2,14-21)13-20-17-10-6-5-9-15(17)16-11-7-8-12-19-16/h15-17,19-21H,3-14H2,1-2H3.
What are the key properties of 2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol?
2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol has a molecular weight of 296.50 g/mol, XLogP of 3.08, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(2-piperidin-2-ylcyclohexyl)amino]methyl]butan-1-ol is sourced from PubChem (CID 106250807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).