N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine

C14H30N2O — CID 102968396

IUPACN-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine
SMILESCOC1CCCN(C(C)CNCCC(C)C)C1
InChIInChI=1S/C14H30N2O/c1-12(2)7-8-15-10-13(3)16-9-5-6-14(11-16)17-4/h12-15H,5-11H2,1-4H3
InChIKeyLSQAULBTJVPTIY-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds7

About N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine

N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine (PubChem CID 102968396) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine
PubChem CID102968396
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine
SMILESCOC1CCCN(C(C)CNCCC(C)C)C1
InChIInChI=1S/C14H30N2O/c1-12(2)7-8-15-10-13(3)16-9-5-6-14(11-16)17-4/h12-15H,5-11H2,1-4H3
InChIKeyLSQAULBTJVPTIY-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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Related Compounds

3-(3-methoxypiperidin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 102968159
2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 102968134
N-[2-(3-methoxypiperidin-1-yl)propyl]cyclohexanamine
CID 102968384
4-(3-methoxypiperidin-1-yl)-N-methylpentan-1-amine
CID 102968095
2-(3-ethoxypiperidin-1-yl)-N-(3-ethoxypropyl)propan-1-amine
CID 62568558
2-methyl-N-[2-(3-propoxypiperidin-1-yl)propyl]propan-1-amine
CID 62412248
methyl 3-(3-methoxypiperidin-1-yl)butanoate
CID 102959580
3-methoxy-2-(3-methoxypiperidin-1-yl)-N-propylpropan-1-amine
CID 103227415
N-[2-(4-cyclopentylpiperazin-1-yl)propyl]-3-methylbutan-1-amine
CID 62568657
methanol;3-methoxy-1-propan-2-ylpiperidine
CID 172576314
3-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)propyl]butan-1-amine
CID 62569572
N-[2-[3-(methoxymethyl)piperidin-1-yl]propyl]-2-methylpropan-1-amine
CID 106589290

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine (CID 102968396) is N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine is COC1CCCN(C(C)CNCCC(C)C)C1.
What is the InChIKey of N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine?
The InChIKey is LSQAULBTJVPTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)7-8-15-10-13(3)16-9-5-6-14(11-16)17-4/h12-15H,5-11H2,1-4H3.
What are the key properties of N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine?
N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-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 N-[2-(3-methoxypiperidin-1-yl)propyl]-3-methylbutan-1-amine is sourced from PubChem (CID 102968396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).