4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine

C14H31N3O2 — CID 54985469

IUPAC4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine
SMILESCOCCCN(CCOC)C1(CN)CCN(C)CC1
InChIInChI=1S/C14H31N3O2/c1-16-8-5-14(13-15,6-9-16)17(10-12-19-3)7-4-11-18-2/h4-13,15H2,1-3H3
InChIKeyKXAVMXVXFSGIDM-UHFFFAOYSA-N
MW273.42 g/mol
LogP0.39
Rot. Bonds9

About 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine

4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine (PubChem CID 54985469) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine
PubChem CID54985469
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine
SMILESCOCCCN(CCOC)C1(CN)CCN(C)CC1
InChIInChI=1S/C14H31N3O2/c1-16-8-5-14(13-15,6-9-16)17(10-12-19-3)7-4-11-18-2/h4-13,15H2,1-3H3
InChIKeyKXAVMXVXFSGIDM-UHFFFAOYSA-N
XLogP0.39
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine (CID 54985469) is 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine is COCCCN(CCOC)C1(CN)CCN(C)CC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine?
The InChIKey is KXAVMXVXFSGIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2/c1-16-8-5-14(13-15,6-9-16)17(10-12-19-3)7-4-11-18-2/h4-13,15H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine?
4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine has a molecular weight of 273.42 g/mol, XLogP of 0.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 54985469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).