2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol

C17H34N2O — CID 107228852

IUPAC2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol
SMILESCCC(CC)(CNC1CC1)CN1CCCC(CCO)C1
InChIInChI=1S/C17H34N2O/c1-3-17(4-2,13-18-16-7-8-16)14-19-10-5-6-15(12-19)9-11-20/h15-16,18,20H,3-14H2,1-2H3
InChIKeyGHFKOSLMKZRKTK-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.64
Rot. Bonds9

About 2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol

2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol (PubChem CID 107228852) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol
PubChem CID107228852
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol
SMILESCCC(CC)(CNC1CC1)CN1CCCC(CCO)C1
InChIInChI=1S/C17H34N2O/c1-3-17(4-2,13-18-16-7-8-16)14-19-10-5-6-15(12-19)9-11-20/h15-16,18,20H,3-14H2,1-2H3
InChIKeyGHFKOSLMKZRKTK-UHFFFAOYSA-N
XLogP2.64
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol (CID 107228852) is 2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol is CCC(CC)(CNC1CC1)CN1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol?
The InChIKey is GHFKOSLMKZRKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-17(4-2,13-18-16-7-8-16)14-19-10-5-6-15(12-19)9-11-20/h15-16,18,20H,3-14H2,1-2H3.
What are the key properties of 2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol?
2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol has a molecular weight of 282.47 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(cyclopropylamino)methyl]-2-ethylbutyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107228852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).