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

C17H28N2O — CID 61171341

IUPAC1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine
SMILESCCN1CCCC(NC(C)c2cc(C)ccc2OC)C1
InChIInChI=1S/C17H28N2O/c1-5-19-10-6-7-15(12-19)18-14(3)16-11-13(2)8-9-17(16)20-4/h8-9,11,14-15,18H,5-7,10,12H2,1-4H3
InChIKeySTGHXDOVKDMPOR-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.14
Rot. Bonds5

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

1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine (PubChem CID 61171341) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine
PubChem CID61171341
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine
SMILESCCN1CCCC(NC(C)c2cc(C)ccc2OC)C1
InChIInChI=1S/C17H28N2O/c1-5-19-10-6-7-15(12-19)18-14(3)16-11-13(2)8-9-17(16)20-4/h8-9,11,14-15,18H,5-7,10,12H2,1-4H3
InChIKeySTGHXDOVKDMPOR-UHFFFAOYSA-N
XLogP3.14
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(1-ethylpiperidin-3-yl)amino]ethyl]phenol
CID 61170168
1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine
CID 43747073
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 61171340
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine
CID 79724448
1-[1-(2-methoxy-5-methylphenyl)ethyl]-N-methylpiperidin-3-amine
CID 62534235
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301037
1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80559992
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749122
1-ethyl-N-[(1S)-1-(4-methylphenyl)ethyl]azepan-4-amine
CID 81356240
1-(2-methoxy-5-methylphenyl)-N-(2-piperidin-1-ylethyl)ethanamine
CID 60695784
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694423
4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 61210661

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine?
The IUPAC name of 1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine (CID 61171341) is 1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine is CCN1CCCC(NC(C)c2cc(C)ccc2OC)C1.
What is the InChIKey of 1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine?
The InChIKey is STGHXDOVKDMPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-19-10-6-7-15(12-19)18-14(3)16-11-13(2)8-9-17(16)20-4/h8-9,11,14-15,18H,5-7,10,12H2,1-4H3.
What are the key properties of 1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine?
1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine has a molecular weight of 276.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine is sourced from PubChem (CID 61171341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).