N-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine

C15H32N2O — CID 103032460

IUPACN-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine
SMILESCCNC(C)C1CCN(CCC(C)(C)OC)CC1
InChIInChI=1S/C15H32N2O/c1-6-16-13(2)14-7-10-17(11-8-14)12-9-15(3,4)18-5/h13-14,16H,6-12H2,1-5H3
InChIKeyJMZLMCOHDQUBHE-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds7

About N-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine

N-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine (PubChem CID 103032460) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine
PubChem CID103032460
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine
SMILESCCNC(C)C1CCN(CCC(C)(C)OC)CC1
InChIInChI=1S/C15H32N2O/c1-6-16-13(2)14-7-10-17(11-8-14)12-9-15(3,4)18-5/h13-14,16H,6-12H2,1-5H3
InChIKeyJMZLMCOHDQUBHE-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{1-[3-(Methyloxy)propyl]-4-piperidinyl}methylamine
CID 12088101
4-Isopropyl-4-methoxy-piperidine
CID 20373713
4-Ethyl-4-methoxypiperidine
CID 21955365
4-Methoxy-4-methylpiperidin-1-ium
CID 51894798
N-ethyl-N-[(4-methoxypiperidin-4-yl)methyl]ethanamine
CID 58735706
(S)-1-(4-Methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine
CID 67773742
1-(4-methoxypiperidin-1-yl)-N,3-dimethylbutan-2-amine
CID 67773747
4-Methoxy-3,4,5-trimethylpiperidine
CID 68311874
(4-Methoxy-1-propan-2-ylpiperidin-4-yl)methanamine
CID 83907040
1-(4-methoxypiperidin-4-yl)-N,N-dimethylmethanamine
CID 84654461
2-(4-methoxypiperidin-4-yl)-N,N-dimethylethanamine
CID 90183531
3-(1,4-Dimethylpiperidin-4-yl)oxy-2-methylpropan-1-amine
CID 91099073

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine (CID 103032460) is N-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine is CCNC(C)C1CCN(CCC(C)(C)OC)CC1.
What is the InChIKey of N-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine?
The InChIKey is JMZLMCOHDQUBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-16-13(2)14-7-10-17(11-8-14)12-9-15(3,4)18-5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine?
N-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(3-methoxy-3-methylbutyl)piperidin-4-yl]ethanamine is sourced from PubChem (CID 103032460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).