3-[1-(aminomethyl)piperidin-4-yl]oxy-N-ethylpropan-1-amine

C11H25N3O — CID 156802563

IUPAC3-[1-(aminomethyl)piperidin-4-yl]oxy-N-ethylpropan-1-amine
SMILESCCNCCCOC1CCN(CN)CC1
InChIInChI=1S/C11H25N3O/c1-2-13-6-3-9-15-11-4-7-14(10-12)8-5-11/h11,13H,2-10,12H2,1H3
InChIKeyKZCFKCOSSOXLCV-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.38
Rot. Bonds7

About 3-[1-(aminomethyl)piperidin-4-yl]oxy-N-ethylpropan-1-amine

3-[1-(aminomethyl)piperidin-4-yl]oxy-N-ethylpropan-1-amine (PubChem CID 156802563) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[1-(aminomethyl)piperidin-4-yl]oxy-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-[1-(aminomethyl)piperidin-4-yl]oxy-N-ethylpropan-1-amine
PubChem CID156802563
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name3-[1-(aminomethyl)piperidin-4-yl]oxy-N-ethylpropan-1-amine
SMILESCCNCCCOC1CCN(CN)CC1
InChIInChI=1S/C11H25N3O/c1-2-13-6-3-9-15-11-4-7-14(10-12)8-5-11/h11,13H,2-10,12H2,1H3
InChIKeyKZCFKCOSSOXLCV-UHFFFAOYSA-N
XLogP0.38
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-butoxypiperidin-1-yl)methanamine
CID 142616316
5-cyclopentyloxy-N-ethylpentan-1-amine
CID 62444829
4-cyclohexyloxy-N-ethylbutan-1-amine
CID 62445750
4-(1-benzylpyrrolidin-3-yl)oxy-N-ethylbutan-1-amine
CID 62918214
2-methyl-N-[3-(1-methylpiperidin-4-yl)oxypropyl]propan-1-amine
CID 62442619
3-[1-(methylsulfanylmethyl)piperidin-4-yl]oxy-N-propan-2-ylpropan-1-amine
CID 170251103
3-[1-(3-ethoxypropyl)piperidin-4-yl]oxypropan-1-amine
CID 79736553
(4-methoxypiperidin-1-yl)methanamine
CID 129270206
N-methyl-3-(1-methylpiperidin-4-yl)oxypropan-1-amine
CID 62442293
4-ethoxy-N-[2-(4-ethoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560342
2-(1-butylpiperidin-4-yl)oxy-N-methylethanamine
CID 134580010
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide
CID 79737359

Frequently Asked Questions

What is the IUPAC name of 3-[1-(aminomethyl)piperidin-4-yl]oxy-N-ethylpropan-1-amine?
The IUPAC name of 3-[1-(aminomethyl)piperidin-4-yl]oxy-N-ethylpropan-1-amine (CID 156802563) is 3-[1-(aminomethyl)piperidin-4-yl]oxy-N-ethylpropan-1-amine.
What is the SMILES notation for 3-[1-(aminomethyl)piperidin-4-yl]oxy-N-ethylpropan-1-amine?
The canonical SMILES for 3-[1-(aminomethyl)piperidin-4-yl]oxy-N-ethylpropan-1-amine is CCNCCCOC1CCN(CN)CC1.
What is the InChIKey of 3-[1-(aminomethyl)piperidin-4-yl]oxy-N-ethylpropan-1-amine?
The InChIKey is KZCFKCOSSOXLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-2-13-6-3-9-15-11-4-7-14(10-12)8-5-11/h11,13H,2-10,12H2,1H3.
What are the key properties of 3-[1-(aminomethyl)piperidin-4-yl]oxy-N-ethylpropan-1-amine?
3-[1-(aminomethyl)piperidin-4-yl]oxy-N-ethylpropan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)piperidin-4-yl]oxy-N-ethylpropan-1-amine is sourced from PubChem (CID 156802563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).