2-(4-ethoxypiperidin-1-yl)-4-propylcyclohexan-1-amine

C16H32N2O — CID 61220136

IUPAC2-(4-ethoxypiperidin-1-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(N2CCC(OCC)CC2)C1
InChIInChI=1S/C16H32N2O/c1-3-5-13-6-7-15(17)16(12-13)18-10-8-14(9-11-18)19-4-2/h13-16H,3-12,17H2,1-2H3
InChIKeyAXBLFHVPWXEWML-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.78
Rot. Bonds5

About 2-(4-ethoxypiperidin-1-yl)-4-propylcyclohexan-1-amine

2-(4-ethoxypiperidin-1-yl)-4-propylcyclohexan-1-amine (PubChem CID 61220136) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-(4-ethoxypiperidin-1-yl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-ethoxypiperidin-1-yl)-4-propylcyclohexan-1-amine
PubChem CID61220136
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-(4-ethoxypiperidin-1-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(N2CCC(OCC)CC2)C1
InChIInChI=1S/C16H32N2O/c1-3-5-13-6-7-15(17)16(12-13)18-10-8-14(9-11-18)19-4-2/h13-16H,3-12,17H2,1-2H3
InChIKeyAXBLFHVPWXEWML-UHFFFAOYSA-N
XLogP2.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.78
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)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(4-ethoxypiperidin-1-yl)-4-propylcyclohexan-1-amine (CID 61220136) is 2-(4-ethoxypiperidin-1-yl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(4-ethoxypiperidin-1-yl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(4-ethoxypiperidin-1-yl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(N2CCC(OCC)CC2)C1.
What is the InChIKey of 2-(4-ethoxypiperidin-1-yl)-4-propylcyclohexan-1-amine?
The InChIKey is AXBLFHVPWXEWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-5-13-6-7-15(17)16(12-13)18-10-8-14(9-11-18)19-4-2/h13-16H,3-12,17H2,1-2H3.
What are the key properties of 2-(4-ethoxypiperidin-1-yl)-4-propylcyclohexan-1-amine?
2-(4-ethoxypiperidin-1-yl)-4-propylcyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.78, 5 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)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 61220136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).