N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

C13H26N2O — CID 43756290

IUPACN-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCOCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-12(2)4-8-15-9-5-13(6-10-15)14-7-11-16-3/h4,13-14H,5-11H2,1-3H3
InChIKeyUZILVLUZFHINME-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.65
Rot. Bonds6

About N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 43756290) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID43756290
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCOCCNC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-12(2)4-8-15-9-5-13(6-10-15)14-7-11-16-3/h4,13-14H,5-11H2,1-3H3
InChIKeyUZILVLUZFHINME-UHFFFAOYSA-N
XLogP1.65
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbut-2-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 63828182
N-[2-(2,2-difluoroethoxy)ethyl]-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 103082726
(E)-2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 20529045
2-methyl-N-(3-morpholin-4-ylpropyl)but-2-en-1-amine
CID 53925762
Methyl 2-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]acetate
CID 43756890
N-(1-methoxypropan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43758405
1-(3-methylbut-2-enyl)-N-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 43764214
N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43765303
1-(3-methylbut-2-enyl)-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 43765468
1-(3-methylbut-2-enyl)-N-(3-morpholin-4-ylpropyl)piperidin-4-amine
CID 43769519
N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43769589
1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine
CID 43770121

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 43756290) is N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is COCCNC1CCN(CC=C(C)C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is UZILVLUZFHINME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)4-8-15-9-5-13(6-10-15)14-7-11-16-3/h4,13-14H,5-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 226.36 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 43756290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).