1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine

C13H28N2O — CID 115709757

IUPAC1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine
SMILESCCN1CCC(NCCCCOC)CC1C
InChIInChI=1S/C13H28N2O/c1-4-15-9-7-13(11-12(15)2)14-8-5-6-10-16-3/h12-14H,4-11H2,1-3H3
InChIKeySFLOCHDNBWBHCM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds7

About 1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine

1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine (PubChem CID 115709757) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine
PubChem CID115709757
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine
SMILESCCN1CCC(NCCCCOC)CC1C
InChIInChI=1S/C13H28N2O/c1-4-15-9-7-13(11-12(15)2)14-8-5-6-10-16-3/h12-14H,4-11H2,1-3H3
InChIKeySFLOCHDNBWBHCM-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(1-ethyl-2-methylpiperidin-4-yl)amino]pentanenitrile
CID 115716628
N-(5-methoxypentyl)-1,5-dimethylpyrrolidin-3-amine
CID 115714830
N-(4-methoxybutyl)-5-methylthiolan-3-amine
CID 79949134
1-ethyl-2-methyl-N-(2-methylbutyl)piperidin-4-amine
CID 115887559
(2S)-1-[(1-ethyl-2-methylpiperidin-4-yl)amino]propan-2-ol
CID 103906419
N-(2-bromoprop-2-enyl)-1-ethyl-2-methylpiperidin-4-amine
CID 115717320
1-ethyl-2-methyl-N-(2-methylpentyl)piperidin-4-amine
CID 115907342
2-methyl-N-propyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperidin-4-amine
CID 79358560
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-cyclohexyl-1-ethyl-2-methylpiperidin-4-amine
CID 115654044
N-butan-2-yl-1-ethyl-2-methylpiperidin-4-amine
CID 115705729
1,2-dimethyl-N-(3-propan-2-yloxypropyl)piperidin-4-amine
CID 81302152

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine?
The IUPAC name of 1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine (CID 115709757) is 1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine?
The canonical SMILES for 1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine is CCN1CCC(NCCCCOC)CC1C.
What is the InChIKey of 1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine?
The InChIKey is SFLOCHDNBWBHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-15-9-7-13(11-12(15)2)14-8-5-6-10-16-3/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine?
1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methoxybutyl)-2-methylpiperidin-4-amine is sourced from PubChem (CID 115709757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).