4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine

C15H32N2O — CID 65469240

IUPAC4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine
SMILESCCCNCCCC(C)OCC1CCCCN1C
InChIInChI=1S/C15H32N2O/c1-4-10-16-11-7-8-14(2)18-13-15-9-5-6-12-17(15)3/h14-16H,4-13H2,1-3H3
InChIKeyYXDWRMRLTKXWRT-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.66
Rot. Bonds9

About 4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine

4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine (PubChem CID 65469240) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine
PubChem CID65469240
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine
SMILESCCCNCCCC(C)OCC1CCCCN1C
InChIInChI=1S/C15H32N2O/c1-4-10-16-11-7-8-14(2)18-13-15-9-5-6-12-17(15)3/h14-16H,4-13H2,1-3H3
InChIKeyYXDWRMRLTKXWRT-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.66
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-4-[(1-methylpiperidin-2-yl)methoxy]pentan-1-amine
CID 65467693
4-[(1-methylpiperidin-2-yl)methoxy]-N-(2-methylpropyl)pentan-1-amine
CID 65469993
N-methyl-4-[(1-methylpiperidin-2-yl)methoxy]pentan-1-amine
CID 65467882
4-N-methyl-4-N-[(1-methylpyrrolidin-2-yl)methyl]-1-N-propylpentane-1,4-diamine
CID 79313502
4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 62414508
N-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine
CID 103274198
4-ethoxy-N-propylpentan-1-amine
CID 62446191
4-(cyclohexylmethoxy)-N-ethylpentan-1-amine
CID 62485288
7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine
CID 103604979
3-[(1-methylpiperidin-2-yl)methoxy]-N-propan-2-ylpropan-1-amine
CID 65469427
2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104760185
N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575588

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine?
The IUPAC name of 4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine (CID 65469240) is 4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine.
What is the SMILES notation for 4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine?
The canonical SMILES for 4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine is CCCNCCCC(C)OCC1CCCCN1C.
What is the InChIKey of 4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine?
The InChIKey is YXDWRMRLTKXWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-10-16-11-7-8-14(2)18-13-15-9-5-6-12-17(15)3/h14-16H,4-13H2,1-3H3.
What are the key properties of 4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine?
4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine has a molecular weight of 256.43 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpiperidin-2-yl)methoxy]-N-propylpentan-1-amine is sourced from PubChem (CID 65469240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).