N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine

C14H30N2O — CID 113436916

IUPACN-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1CCCCOC
InChIInChI=1S/C14H30N2O/c1-3-9-15-13-14-8-4-5-10-16(14)11-6-7-12-17-2/h14-15H,3-13H2,1-2H3
InChIKeyJDOODNIOBZCDEC-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds9

About N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine

N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine (PubChem CID 113436916) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
PubChem CID113436916
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCCCN1CCCCOC
InChIInChI=1S/C14H30N2O/c1-3-9-15-13-14-8-4-5-10-16(14)11-6-7-12-17-2/h14-15H,3-13H2,1-2H3
InChIKeyJDOODNIOBZCDEC-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.27
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-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
N-[(1-nonylpiperidin-2-yl)methyl]propan-1-amine
CID 63527668
N-[[(2R)-1-propylpiperidin-2-yl]methyl]propan-1-amine
CID 97017290
N-[[1-(3-methoxypropyl)pyrrolidin-2-yl]methyl]ethanamine
CID 62582162
5-[2-[(2-methoxyethylamino)methyl]piperidin-1-yl]pentanenitrile
CID 63855313
N-[[1-[2-(3-methoxypropoxy)ethyl]piperidin-2-yl]methyl]ethanamine
CID 103180300
N-(2-methoxyethyl)-4-(2-propylpiperidin-1-yl)butan-1-amine
CID 83061940
[1-(4-methoxybutyl)piperidin-2-yl]methanamine
CID 115741337
N-(1-methoxypropan-2-yl)-2-[2-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63847154
2-methoxy-N-[[1-(methoxymethyl)piperidin-2-yl]methyl]ethanamine
CID 65364306
[1-(4-methoxybutyl)azepan-2-yl]methanol
CID 116637260
N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-2-yl]methyl]propan-1-amine
CID 62580582

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine (CID 113436916) is N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine is CCCNCC1CCCCN1CCCCOC.
What is the InChIKey of N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine?
The InChIKey is JDOODNIOBZCDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-9-15-13-14-8-4-5-10-16(14)11-6-7-12-17-2/h14-15H,3-13H2,1-2H3.
What are the key properties of N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine?
N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 113436916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).