4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine

C13H28N2O — CID 114593868

IUPAC4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine
SMILESCOCCC(N)CN1CC(C)CC(C)C1C
InChIInChI=1S/C13H28N2O/c1-10-7-11(2)12(3)15(8-10)9-13(14)5-6-16-4/h10-13H,5-9,14H2,1-4H3
InChIKeyPHUIZHIWILUBSV-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.72
Rot. Bonds5

About 4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine

4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine (PubChem CID 114593868) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine.

Molecular Properties

Compound Name4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine
PubChem CID114593868
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine
SMILESCOCCC(N)CN1CC(C)CC(C)C1C
InChIInChI=1S/C13H28N2O/c1-10-7-11(2)12(3)15(8-10)9-13(14)5-6-16-4/h10-13H,5-9,14H2,1-4H3
InChIKeyPHUIZHIWILUBSV-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine
CID 114593853
1-methoxy-N-propyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-amine
CID 107505960
ethyl 2-amino-3-(2,3,5-trimethylpiperidin-1-yl)propanoate
CID 114596345
4-methoxy-1-(4-methylpiperidin-1-yl)butan-2-amine
CID 62477662
1-(2-ethylpyrrolidin-1-yl)-4-methoxybutan-2-amine
CID 62477150
1-phenyl-2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592777
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methoxybutan-2-amine
CID 104959201
2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592249
2-(propan-2-ylamino)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
CID 114596400
2-amino-5-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)pentan-1-one
CID 114593016
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-4-methoxybutan-2-amine
CID 82750721
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]pentan-3-amine
CID 114593805

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine?
The IUPAC name of 4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine (CID 114593868) is 4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine.
What is the SMILES notation for 4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine?
The canonical SMILES for 4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine is COCCC(N)CN1CC(C)CC(C)C1C.
What is the InChIKey of 4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine?
The InChIKey is PHUIZHIWILUBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10-7-11(2)12(3)15(8-10)9-13(14)5-6-16-4/h10-13H,5-9,14H2,1-4H3.
What are the key properties of 4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine?
4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)butan-2-amine is sourced from PubChem (CID 114593868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).