N-(3-methoxypropyl)-1-methylpiperidin-4-amine

C10H22N2O — CID 3153472

IUPACN-(3-methoxypropyl)-1-methylpiperidin-4-amine
SMILESCOCCCNC1CCN(C)CC1
InChIInChI=1S/C10H22N2O/c1-12-7-4-10(5-8-12)11-6-3-9-13-2/h10-11H,3-9H2,1-2H3
InChIKeyHZXTVHVKRLJKAY-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.71
Rot. Bonds5

About N-(3-methoxypropyl)-1-methylpiperidin-4-amine

N-(3-methoxypropyl)-1-methylpiperidin-4-amine (PubChem CID 3153472) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-methylpiperidin-4-amine
PubChem CID3153472
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-(3-methoxypropyl)-1-methylpiperidin-4-amine
SMILESCOCCCNC1CCN(C)CC1
InChIInChI=1S/C10H22N2O/c1-12-7-4-10(5-8-12)11-6-3-9-13-2/h10-11H,3-9H2,1-2H3
InChIKeyHZXTVHVKRLJKAY-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.71
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(3-methoxypropyl)-1-methylpiperidin-4-amine (CID 3153472) is N-(3-methoxypropyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(3-methoxypropyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(3-methoxypropyl)-1-methylpiperidin-4-amine is COCCCNC1CCN(C)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-methylpiperidin-4-amine?
The InChIKey is HZXTVHVKRLJKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-12-7-4-10(5-8-12)11-6-3-9-13-2/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(3-methoxypropyl)-1-methylpiperidin-4-amine?
N-(3-methoxypropyl)-1-methylpiperidin-4-amine has a molecular weight of 186.30 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 3153472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).