3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol

C12H26N2O — CID 114499381

IUPAC3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol
SMILESCCNC1CCN(C(C)C(C)O)CC1C
InChIInChI=1S/C12H26N2O/c1-5-13-12-6-7-14(8-9(12)2)10(3)11(4)15/h9-13,15H,5-8H2,1-4H3
InChIKeyMSVMUXYICWGVTH-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.08
Rot. Bonds4

About 3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol

3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol (PubChem CID 114499381) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol.

Molecular Properties

Compound Name3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol
PubChem CID114499381
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol
SMILESCCNC1CCN(C(C)C(C)O)CC1C
InChIInChI=1S/C12H26N2O/c1-5-13-12-6-7-14(8-9(12)2)10(3)11(4)15/h9-13,15H,5-8H2,1-4H3
InChIKeyMSVMUXYICWGVTH-UHFFFAOYSA-N
XLogP1.08
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol 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 3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol?
The IUPAC name of 3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol (CID 114499381) is 3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol.
What is the SMILES notation for 3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol?
The canonical SMILES for 3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol is CCNC1CCN(C(C)C(C)O)CC1C.
What is the InChIKey of 3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol?
The InChIKey is MSVMUXYICWGVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-13-12-6-7-14(8-9(12)2)10(3)11(4)15/h9-13,15H,5-8H2,1-4H3.
What are the key properties of 3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol?
3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol has a molecular weight of 214.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol is sourced from PubChem (CID 114499381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).