2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine

C13H28N2O — CID 116501631

IUPAC2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine
SMILESCCC1CCCN(C(CN)C(C)COC)C1
InChIInChI=1S/C13H28N2O/c1-4-12-6-5-7-15(9-12)13(8-14)11(2)10-16-3/h11-13H,4-10,14H2,1-3H3
InChIKeyNRPDPHOGJYFPTO-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.72
Rot. Bonds6

About 2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine

2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine (PubChem CID 116501631) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine
PubChem CID116501631
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine
SMILESCCC1CCCN(C(CN)C(C)COC)C1
InChIInChI=1S/C13H28N2O/c1-4-12-6-5-7-15(9-12)13(8-14)11(2)10-16-3/h11-13H,4-10,14H2,1-3H3
InChIKeyNRPDPHOGJYFPTO-UHFFFAOYSA-N
XLogP1.72
TPSA38.49 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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-(Methoxymethyl)piperidin-1-yl)ethan-1-amine
CID 66564433
2-(4-Methoxymethyl-piperidin-1-yl)-ethylamine
CID 63971886
1-Methyl-2-(oxetan-3-yl)piperazine
CID 116984957
[3-(Dimethylamino)piperidin-4-YL]methanol
CID 86820533
[3-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
CID 61716996
[4-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-2-yl]methanamine
CID 63839896
1,1,1-Trifluoro-2-[4-(methoxymethyl)piperidin-1-yl]pentan-3-amine
CID 63971100
4,4,4-Trifluoro-3-[4-(methoxymethyl)piperidin-1-yl]butan-2-amine
CID 63971489
3,3,3-Trifluoro-2-[4-(methoxymethyl)piperidin-1-yl]propan-1-amine
CID 63973427
2-[4-(methoxymethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63977789
4-Methoxy-1-[3-(trifluoromethyl)piperidin-1-yl]butan-2-amine
CID 65536158
4-Methoxy-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-amine
CID 65537132

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine (CID 116501631) is 2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine is CCC1CCCN(C(CN)C(C)COC)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine?
The InChIKey is NRPDPHOGJYFPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-12-6-5-7-15(9-12)13(8-14)11(2)10-16-3/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine?
2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidin-1-yl)-4-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 116501631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).