N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine

C13H28N2O — CID 104648606

IUPACN-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine
SMILESCCN(CCCCOC)CC1CCNCC1
InChIInChI=1S/C13H28N2O/c1-3-15(10-4-5-11-16-2)12-13-6-8-14-9-7-13/h13-14H,3-12H2,1-2H3
InChIKeyAYQUPGOXOSYHPF-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds8

About N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine

N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine (PubChem CID 104648606) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine
PubChem CID104648606
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine
SMILESCCN(CCCCOC)CC1CCNCC1
InChIInChI=1S/C13H28N2O/c1-3-15(10-4-5-11-16-2)12-13-6-8-14-9-7-13/h13-14H,3-12H2,1-2H3
InChIKeyAYQUPGOXOSYHPF-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine
CID 79715887
5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79716629
N-ethyl-4-methylsulfanyl-N-(piperidin-4-ylmethyl)butan-1-amine
CID 103089513
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 103181619
N,N-diethyl-4-[ethyl(piperidin-4-ylmethyl)amino]butanamide
CID 79717040
2-[2-[ethyl(piperidin-4-ylmethyl)amino]ethoxy]ethanol
CID 79717125
N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine
CID 94810456
N-(cyclopropylmethyl)-N-ethyl-2-piperidin-4-yloxyethanamine
CID 63956036
N,N-diethyl-4-piperidin-4-ylbutan-1-amine
CID 10081918
1-[ethyl(piperidin-4-ylmethyl)amino]-3-methoxypropan-2-ol
CID 79716413
N-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 103339364
N-ethyl-2-(oxan-2-yloxy)-N-(piperidin-4-ylmethyl)ethanamine
CID 79716321

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine?
The IUPAC name of N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine (CID 104648606) is N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine?
The canonical SMILES for N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine is CCN(CCCCOC)CC1CCNCC1.
What is the InChIKey of N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine?
The InChIKey is AYQUPGOXOSYHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-15(10-4-5-11-16-2)12-13-6-8-14-9-7-13/h13-14H,3-12H2,1-2H3.
What are the key properties of N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine?
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 104648606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).