2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol

C18H38N2O — CID 107228972

IUPAC2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol
SMILESCCC(CC)(CNCC(C)C)CN1CCCC(CCO)C1
InChIInChI=1S/C18H38N2O/c1-5-18(6-2,14-19-12-16(3)4)15-20-10-7-8-17(13-20)9-11-21/h16-17,19,21H,5-15H2,1-4H3
InChIKeyPOOPRIHBAHADJK-UHFFFAOYSA-N
MW298.51 g/mol
LogP3.13
Rot. Bonds10

About 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol

2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol (PubChem CID 107228972) has the molecular formula C18H38N2O and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol
PubChem CID107228972
Molecular FormulaC18H38N2O
Molecular Weight298.51 g/mol
Exact Mass298.30
IUPAC Name2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol
SMILESCCC(CC)(CNCC(C)C)CN1CCCC(CCO)C1
InChIInChI=1S/C18H38N2O/c1-5-18(6-2,14-19-12-16(3)4)15-20-10-7-8-17(13-20)9-11-21/h16-17,19,21H,5-15H2,1-4H3
InChIKeyPOOPRIHBAHADJK-UHFFFAOYSA-N
XLogP3.13
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.51
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]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-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol (CID 107228972) is 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol is CCC(CC)(CNCC(C)C)CN1CCCC(CCO)C1.
What is the InChIKey of 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol?
The InChIKey is POOPRIHBAHADJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-5-18(6-2,14-19-12-16(3)4)15-20-10-7-8-17(13-20)9-11-21/h16-17,19,21H,5-15H2,1-4H3.
What are the key properties of 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol?
2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol has a molecular weight of 298.51 g/mol, XLogP of 3.13, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]piperidin-3-yl]ethanol is sourced from PubChem (CID 107228972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).