N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine

C18H30N2O — CID 43108073

IUPACN-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
SMILESCCOc1ccccc1C(C)NCCCN1CCCCC1
InChIInChI=1S/C18H30N2O/c1-3-21-18-11-6-5-10-17(18)16(2)19-12-9-15-20-13-7-4-8-14-20/h5-6,10-11,16,19H,3-4,7-9,12-15H2,1-2H3
InChIKeyIEPRKTZPMALOQR-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.61
Rot. Bonds8

About N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine

N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine (PubChem CID 43108073) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
PubChem CID43108073
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
SMILESCCOc1ccccc1C(C)NCCCN1CCCCC1
InChIInChI=1S/C18H30N2O/c1-3-21-18-11-6-5-10-17(18)16(2)19-12-9-15-20-13-7-4-8-14-20/h5-6,10-11,16,19H,3-4,7-9,12-15H2,1-2H3
InChIKeyIEPRKTZPMALOQR-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.61
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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Related Compounds

N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 28657896
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43098922
3-cyclopropyl-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115890665
3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 43203794
1-[4-(2-propan-2-ylphenoxy)butyl]piperidine;hydrochloride
CID 2865485
5-[1-(2-ethoxyphenyl)ethylamino]pentan-1-ol
CID 113350527
5-[1-(2-ethoxyphenyl)ethylamino]pentan-2-ol
CID 107270389
3-butoxy-N-[1-(2-ethoxyphenyl)ethyl]propan-1-amine
CID 115704472
N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43203819
N-[2-(azepan-1-yl)ethyl]-1-(2-methylphenyl)ethanamine
CID 61239803
N-(2-cyclopentylethyl)-1-(2-ethoxyphenyl)ethanamine
CID 54932052

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine (CID 43108073) is N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine is CCOc1ccccc1C(C)NCCCN1CCCCC1.
What is the InChIKey of N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine?
The InChIKey is IEPRKTZPMALOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-21-18-11-6-5-10-17(18)16(2)19-12-9-15-20-13-7-4-8-14-20/h5-6,10-11,16,19H,3-4,7-9,12-15H2,1-2H3.
What are the key properties of N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine?
N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 43108073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).