N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine

C13H28N2O — CID 102963478

IUPACN-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine
SMILESCCNC(C)CCN1CCC(C)C(OC)C1
InChIInChI=1S/C13H28N2O/c1-5-14-12(3)7-9-15-8-6-11(2)13(10-15)16-4/h11-14H,5-10H2,1-4H3
InChIKeyIHJKIULPTXPZIE-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds6

About N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine

N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine (PubChem CID 102963478) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine
PubChem CID102963478
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine
SMILESCCNC(C)CCN1CCC(C)C(OC)C1
InChIInChI=1S/C13H28N2O/c1-5-14-12(3)7-9-15-8-6-11(2)13(10-15)16-4/h11-14H,5-10H2,1-4H3
InChIKeyIHJKIULPTXPZIE-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine 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

methyl 2-(ethylamino)-4-(3-methoxy-4-methylpiperidin-1-yl)butanoate
CID 102966363
N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 102967163
2-(3-methoxy-4-methylpiperidin-1-yl)ethanethiol
CID 102969172
4-(3-methoxy-4-methylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 102968904
4-(3-methoxy-4-methylpiperidin-1-yl)-2-methylbutan-2-amine
CID 102963557
(2S)-1-(3-methoxy-4-methylpiperidin-1-yl)propan-2-amine
CID 102965393
4-(3-methoxy-4-methylpiperidin-1-yl)-N-propylbutan-1-amine
CID 102968026
4-(3-methoxy-4-methylpiperidin-1-yl)butan-1-amine
CID 102956570
N-(2-methoxyethyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102963614
1-(3-methoxy-4-methylpiperidin-1-yl)-N-methylbutan-2-amine
CID 102965443
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
CID 124829258
1-(6-chlorohexyl)-3-methoxy-4-methylpiperidine
CID 102964339

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine?
The IUPAC name of N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine (CID 102963478) is N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine?
The canonical SMILES for N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine is CCNC(C)CCN1CCC(C)C(OC)C1.
What is the InChIKey of N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine?
The InChIKey is IHJKIULPTXPZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-14-12(3)7-9-15-8-6-11(2)13(10-15)16-4/h11-14H,5-10H2,1-4H3.
What are the key properties of N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine?
N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-methoxy-4-methylpiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 102963478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).