4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine

C14H30N2O — CID 62422628

IUPAC4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCOC1CCN(CCCCNCC(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2)12-15-8-4-5-9-16-10-6-14(17-3)7-11-16/h13-15H,4-12H2,1-3H3
InChIKeyLYNUGKLILUQWRM-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds8

About 4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine

4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 62422628) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID62422628
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCOC1CCN(CCCCNCC(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-13(2)12-15-8-4-5-9-16-10-6-14(17-3)7-11-16/h13-15H,4-12H2,1-3H3
InChIKeyLYNUGKLILUQWRM-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
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

6-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)hexan-1-amine
CID 102968223
5-(4-ethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55069235
5-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62438364
5-(4,4-dimethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62930484
N-(2-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413
N-[4-(4-methoxypiperidin-1-yl)butyl]cyclopropanamine
CID 62422445
N-(2-methylpropyl)-8-(4-propan-2-ylpiperazin-1-yl)octan-1-amine
CID 174276401
N-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propyl]-2-methylpropan-1-amine
CID 64570291
N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560572
1-(4-methoxypiperidin-1-yl)-3-(2-methylpropylamino)propan-2-ol
CID 115474913
6-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]hexan-1-ol
CID 107707143
5-(4-butan-2-ylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62774852

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine (CID 62422628) is 4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine is COC1CCN(CCCCNCC(C)C)CC1.
What is the InChIKey of 4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is LYNUGKLILUQWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-13(2)12-15-8-4-5-9-16-10-6-14(17-3)7-11-16/h13-15H,4-12H2,1-3H3.
What are the key properties of 4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine?
4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62422628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).