2-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine

C12H26N2O — CID 62441062

IUPAC2-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine
SMILESCCCNCC(C)OC1CCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-4-7-13-10-11(2)15-12-5-8-14(3)9-6-12/h11-13H,4-10H2,1-3H3
InChIKeyXUKUWUUUTKQUEE-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.49
Rot. Bonds6

About 2-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine

2-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine (PubChem CID 62441062) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine
PubChem CID62441062
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine
SMILESCCCNCC(C)OC1CCN(C)CC1
InChIInChI=1S/C12H26N2O/c1-4-7-13-10-11(2)15-12-5-8-14(3)9-6-12/h11-13H,4-10H2,1-3H3
InChIKeyXUKUWUUUTKQUEE-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.49
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

2-methyl-3-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine
CID 115003113
N-ethyl-2-(4-methylcyclohexyl)oxypropan-1-amine
CID 62444134
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
N-(2-cyclobutyloxypropyl)-3-methylbutan-1-amine
CID 62583080
2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]propan-1-amine
CID 62442619
N-[2-(1-methylpiperidin-4-yl)ethyl]-1-(propylamino)propane-2-sulfonamide
CID 106082678
2-cyclobutyloxy-N-(2-methoxyethyl)propan-1-amine
CID 62582703
N-methyl-2-(1-methylpiperidin-4-yl)oxybutan-1-amine
CID 62441247
2-cyclobutyloxy-N-(3-ethoxypropyl)propan-1-amine
CID 62582894
2-cyclopentyloxy-N-(3-ethoxypropyl)propan-1-amine
CID 62564975
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 115876275
2-cyclohexyloxy-N-(3-ethoxypropyl)propan-1-amine
CID 55088192

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine?
The IUPAC name of 2-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine (CID 62441062) is 2-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine is CCCNCC(C)OC1CCN(C)CC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine?
The InChIKey is XUKUWUUUTKQUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-7-13-10-11(2)15-12-5-8-14(3)9-6-12/h11-13H,4-10H2,1-3H3.
What are the key properties of 2-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine?
2-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine has a molecular weight of 214.35 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)oxy-N-propylpropan-1-amine is sourced from PubChem (CID 62441062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).