N-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine

C17H28N2O — CID 61011125

IUPACN-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCCOc1ccccc1CNCC(C)N1CCCCC1
InChIInChI=1S/C17H28N2O/c1-3-20-17-10-6-5-9-16(17)14-18-13-15(2)19-11-7-4-8-12-19/h5-6,9-10,15,18H,3-4,7-8,11-14H2,1-2H3
InChIKeyHUHIVAJLEFDTGM-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds7

About N-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine

N-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine (PubChem CID 61011125) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
PubChem CID61011125
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCCOc1ccccc1CNCC(C)N1CCCCC1
InChIInChI=1S/C17H28N2O/c1-3-20-17-10-6-5-9-16(17)14-18-13-15(2)19-11-7-4-8-12-19/h5-6,9-10,15,18H,3-4,7-8,11-14H2,1-2H3
InChIKeyHUHIVAJLEFDTGM-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine (CID 61011125) is N-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine is CCOc1ccccc1CNCC(C)N1CCCCC1.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The InChIKey is HUHIVAJLEFDTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-20-17-10-6-5-9-16(17)14-18-13-15(2)19-11-7-4-8-12-19/h5-6,9-10,15,18H,3-4,7-8,11-14H2,1-2H3.
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
N-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 61011125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).