N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine

C18H30N2O — CID 43098922

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
SMILESCOc1ccc(C)cc1C(C)NCCCN1CCCCC1
InChIInChI=1S/C18H30N2O/c1-15-8-9-18(21-3)17(14-15)16(2)19-10-7-13-20-11-5-4-6-12-20/h8-9,14,16,19H,4-7,10-13H2,1-3H3
InChIKeyQPRDXTPYENGSOF-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.53
Rot. Bonds7

About N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine

N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine (PubChem CID 43098922) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
PubChem CID43098922
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
SMILESCOc1ccc(C)cc1C(C)NCCCN1CCCCC1
InChIInChI=1S/C18H30N2O/c1-15-8-9-18(21-3)17(14-15)16(2)19-10-7-13-20-11-5-4-6-12-20/h8-9,14,16,19H,4-7,10-13H2,1-3H3
InChIKeyQPRDXTPYENGSOF-UHFFFAOYSA-N
XLogP3.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.53
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

1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60695784
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749122
N-[2-(azepan-1-yl)ethyl]-1-(2,5-dimethylphenyl)ethanamine
CID 61240183
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 75382566
N-[1-(2-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43096146
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 97231363
N-[1-(2-ethoxyphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43108073
N-(2-cyclobutylethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 113348858
3-ethenoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]propan-1-amine
CID 43207324
1-(2-methoxy-5-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682010
3-[1-(2-methoxy-5-methylphenyl)ethylamino]propanenitrile
CID 43183220
N-[1-(2,5-difluorophenyl)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 43203819

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine (CID 43098922) is N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine is COc1ccc(C)cc1C(C)NCCCN1CCCCC1.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine?
The InChIKey is QPRDXTPYENGSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-15-8-9-18(21-3)17(14-15)16(2)19-10-7-13-20-11-5-4-6-12-20/h8-9,14,16,19H,4-7,10-13H2,1-3H3.
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine?
N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine has a molecular weight of 290.45 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]-3-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 43098922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).