3-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine

C14H30N2O — CID 55074360

IUPAC3-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCOC1CCN(C(C)CCNCC(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-12(2)11-15-8-5-13(3)16-9-6-14(17-4)7-10-16/h12-15H,5-11H2,1-4H3
InChIKeyCJWMDKWOZNRSMM-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds7

About 3-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine

3-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 55074360) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
PubChem CID55074360
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
SMILESCOC1CCN(C(C)CCNCC(C)C)CC1
InChIInChI=1S/C14H30N2O/c1-12(2)11-15-8-5-13(3)16-9-6-14(17-4)7-10-16/h12-15H,5-11H2,1-4H3
InChIKeyCJWMDKWOZNRSMM-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine (CID 55074360) is 3-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine is COC1CCN(C(C)CCNCC(C)C)CC1.
What is the InChIKey of 3-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is CJWMDKWOZNRSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)11-15-8-5-13(3)16-9-6-14(17-4)7-10-16/h12-15H,5-11H2,1-4H3.
What are the key properties of 3-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine?
3-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 55074360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).