2-[(4-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine

C14H28N2O — CID 55093924

IUPAC2-[(4-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESCCOC1CCN(CC2CCCCC2N)CC1
InChIInChI=1S/C14H28N2O/c1-2-17-13-7-9-16(10-8-13)11-12-5-3-4-6-14(12)15/h12-14H,2-11,15H2,1H3
InChIKeyPFARLFLLUMGDNY-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.00
Rot. Bonds4

About 2-[(4-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine

2-[(4-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine (PubChem CID 55093924) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-[(4-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine
PubChem CID55093924
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-[(4-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine
SMILESCCOC1CCN(CC2CCCCC2N)CC1
InChIInChI=1S/C14H28N2O/c1-2-17-13-7-9-16(10-8-13)11-12-5-3-4-6-14(12)15/h12-14H,2-11,15H2,1H3
InChIKeyPFARLFLLUMGDNY-UHFFFAOYSA-N
XLogP2.00
TPSA38.49 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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 2-[(4-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine (CID 55093924) is 2-[(4-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[(4-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[(4-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine is CCOC1CCN(CC2CCCCC2N)CC1.
What is the InChIKey of 2-[(4-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine?
The InChIKey is PFARLFLLUMGDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-17-13-7-9-16(10-8-13)11-12-5-3-4-6-14(12)15/h12-14H,2-11,15H2,1H3.
What are the key properties of 2-[(4-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine?
2-[(4-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxypiperidin-1-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 55093924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).