1-(2-methoxyethyl)-2-piperidin-4-ylazepane

C14H28N2O — CID 64851835

IUPAC1-(2-methoxyethyl)-2-piperidin-4-ylazepane
SMILESCOCCN1CCCCCC1C1CCNCC1
InChIInChI=1S/C14H28N2O/c1-17-12-11-16-10-4-2-3-5-14(16)13-6-8-15-9-7-13/h13-15H,2-12H2,1H3
InChIKeyWYGAIOHQVBGTTQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.88
Rot. Bonds4

About 1-(2-methoxyethyl)-2-piperidin-4-ylazepane

1-(2-methoxyethyl)-2-piperidin-4-ylazepane (PubChem CID 64851835) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-piperidin-4-ylazepane.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-piperidin-4-ylazepane
PubChem CID64851835
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-(2-methoxyethyl)-2-piperidin-4-ylazepane
SMILESCOCCN1CCCCCC1C1CCNCC1
InChIInChI=1S/C14H28N2O/c1-17-12-11-16-10-4-2-3-5-14(16)13-6-8-15-9-7-13/h13-15H,2-12H2,1H3
InChIKeyWYGAIOHQVBGTTQ-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-piperidin-4-ylazepane?
The IUPAC name of 1-(2-methoxyethyl)-2-piperidin-4-ylazepane (CID 64851835) is 1-(2-methoxyethyl)-2-piperidin-4-ylazepane.
What is the SMILES notation for 1-(2-methoxyethyl)-2-piperidin-4-ylazepane?
The canonical SMILES for 1-(2-methoxyethyl)-2-piperidin-4-ylazepane is COCCN1CCCCCC1C1CCNCC1.
What is the InChIKey of 1-(2-methoxyethyl)-2-piperidin-4-ylazepane?
The InChIKey is WYGAIOHQVBGTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-17-12-11-16-10-4-2-3-5-14(16)13-6-8-15-9-7-13/h13-15H,2-12H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-2-piperidin-4-ylazepane?
1-(2-methoxyethyl)-2-piperidin-4-ylazepane has a molecular weight of 240.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-piperidin-4-ylazepane is sourced from PubChem (CID 64851835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).