1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine

C16H25ClN2O — CID 24731539

IUPAC1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCNC1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H25ClN2O/c1-20-13-9-18-16-7-11-19(12-8-16)10-6-14-2-4-15(17)5-3-14/h2-5,16,18H,6-13H2,1H3
InChIKeyCGEZGLYMLCQVKU-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.58
Rot. Bonds7

About 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine

1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine (PubChem CID 24731539) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine
PubChem CID24731539
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine
SMILESCOCCNC1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H25ClN2O/c1-20-13-9-18-16-7-11-19(12-8-16)10-6-14-2-4-15(17)5-3-14/h2-5,16,18H,6-13H2,1H3
InChIKeyCGEZGLYMLCQVKU-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.58
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 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine (CID 24731539) is 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine is COCCNC1CCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine?
The InChIKey is CGEZGLYMLCQVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-20-13-9-18-16-7-11-19(12-8-16)10-6-14-2-4-15(17)5-3-14/h2-5,16,18H,6-13H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine?
1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine has a molecular weight of 296.84 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)piperidin-4-amine is sourced from PubChem (CID 24731539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).