N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine

C13H28N2O — CID 115714557

IUPACN-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine
SMILESCCCCOCCNC1CCN(C)CC1C
InChIInChI=1S/C13H28N2O/c1-4-5-9-16-10-7-14-13-6-8-15(3)11-12(13)2/h12-14H,4-11H2,1-3H3
InChIKeyDETZAPRDIPHGPT-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds7

About N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine

N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine (PubChem CID 115714557) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine
PubChem CID115714557
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine
SMILESCCCCOCCNC1CCN(C)CC1C
InChIInChI=1S/C13H28N2O/c1-4-5-9-16-10-7-14-13-6-8-15(3)11-12(13)2/h12-14H,4-11H2,1-3H3
InChIKeyDETZAPRDIPHGPT-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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

4-[(3S)-piperidin-3-ylmethyl]morpholine
CID 7183067
N,N-bis(2-methoxyethyl)piperidin-4-amine
CID 61418821
3-Ethyl-2-(morpholin-4-yl)pentan-1-amine
CID 16228000
N-(2-Methoxyethyl)-1-methylpiperidin-4-amine
CID 2761027
4-((Piperidin-3-yl)methyl)morpholine
CID 3157479
1-(2-Methoxyethyl)piperidin-4-amine
CID 20119121
3-(2-Methylpropyl)morpholine
CID 20811826
3-(2-Methylpropyl)morpholine--hydrogen chloride (1/1)
CID 22342824
(3S)-3-(2-methylpropyl)morpholine
CID 28064342
(4-Ethylcyclohexyl)[3-(4-morpholinyl)propyl]amine
CID 2058130
(4-Methylcyclohexyl)[3-(4-morpholinyl)propyl]amine
CID 2846678
N-{[1-(2-Methoxyethyl)pyrrolidin-3-YL]methyl}-N-methylpiperidin-4-amine
CID 56700791

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine (CID 115714557) is N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine is CCCCOCCNC1CCN(C)CC1C.
What is the InChIKey of N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine?
The InChIKey is DETZAPRDIPHGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-5-9-16-10-7-14-13-6-8-15(3)11-12(13)2/h12-14H,4-11H2,1-3H3.
What are the key properties of N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine?
N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115714557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).