2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol

C13H28N2O — CID 62657761

IUPAC2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol
SMILESCCC(CC)(CO)NCC1CCCCN1C
InChIInChI=1S/C13H28N2O/c1-4-13(5-2,11-16)14-10-12-8-6-7-9-15(12)3/h12,14,16H,4-11H2,1-3H3
InChIKeyQFOUNZNPEUFMKK-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds6

About 2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol

2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol (PubChem CID 62657761) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol
PubChem CID62657761
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol
SMILESCCC(CC)(CO)NCC1CCCCN1C
InChIInChI=1S/C13H28N2O/c1-4-13(5-2,11-16)14-10-12-8-6-7-9-15(12)3/h12,14,16H,4-11H2,1-3H3
InChIKeyQFOUNZNPEUFMKK-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-ethyl-2-[2-(1-methylpiperidin-2-yl)ethylamino]butan-1-ol
CID 62518488
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
2,2-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 103460559
(2R)-2-ethyl-1-methylpiperidine
CID 67552955
[(2S)-1-methylpiperidin-2-yl]methylhydrazine
CID 45087985
2-(ethylamino)-2-methyl-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 62836518
3-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]pentan-3-ol
CID 106025507
3-[(1-methylpiperidin-2-yl)methylamino]propane-1,2-diol
CID 66176775
2-ethyl-5-(2-ethylpiperidin-1-yl)-2-(propylamino)pentan-1-ol
CID 106809191
N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 105431089
1-methyl-2-[(1-methylpiperidin-2-yl)methyl]piperidine
CID 54394556
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol (CID 62657761) is 2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol is CCC(CC)(CO)NCC1CCCCN1C.
What is the InChIKey of 2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol?
The InChIKey is QFOUNZNPEUFMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-13(5-2,11-16)14-10-12-8-6-7-9-15(12)3/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol?
2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1-methylpiperidin-2-yl)methylamino]butan-1-ol is sourced from PubChem (CID 62657761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).