1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine

C17H28N2O2 — CID 65180462

IUPAC1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine
SMILESCCOCCCOc1ccc(N2CCCC(N)C2)cc1C
InChIInChI=1S/C17H28N2O2/c1-3-20-10-5-11-21-17-8-7-16(12-14(17)2)19-9-4-6-15(18)13-19/h7-8,12,15H,3-6,9-11,13,18H2,1-2H3
InChIKeyUFKKQDJCBFDHRU-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.73
Rot. Bonds7

About 1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine

1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine (PubChem CID 65180462) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine
PubChem CID65180462
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine
SMILESCCOCCCOc1ccc(N2CCCC(N)C2)cc1C
InChIInChI=1S/C17H28N2O2/c1-3-20-10-5-11-21-17-8-7-16(12-14(17)2)19-9-4-6-15(18)13-19/h7-8,12,15H,3-6,9-11,13,18H2,1-2H3
InChIKeyUFKKQDJCBFDHRU-UHFFFAOYSA-N
XLogP2.73
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine?
The IUPAC name of 1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine (CID 65180462) is 1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine.
What is the SMILES notation for 1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine?
The canonical SMILES for 1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine is CCOCCCOc1ccc(N2CCCC(N)C2)cc1C.
What is the InChIKey of 1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine?
The InChIKey is UFKKQDJCBFDHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-20-10-5-11-21-17-8-7-16(12-14(17)2)19-9-4-6-15(18)13-19/h7-8,12,15H,3-6,9-11,13,18H2,1-2H3.
What are the key properties of 1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine?
1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine has a molecular weight of 292.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-ethoxypropoxy)-3-methylphenyl]piperidin-3-amine is sourced from PubChem (CID 65180462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).