1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine

C16H26N2O — CID 61171340

IUPAC1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
SMILESCCN1CCCC(NC(C)c2cccc(OC)c2)C1
InChIInChI=1S/C16H26N2O/c1-4-18-10-6-8-15(12-18)17-13(2)14-7-5-9-16(11-14)19-3/h5,7,9,11,13,15,17H,4,6,8,10,12H2,1-3H3
InChIKeyQEYYLUDFKZMEKQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.83
Rot. Bonds5

About 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine

1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine (PubChem CID 61171340) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
PubChem CID61171340
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
SMILESCCN1CCCC(NC(C)c2cccc(OC)c2)C1
InChIInChI=1S/C16H26N2O/c1-4-18-10-6-8-15(12-18)17-13(2)14-7-5-9-16(11-14)19-3/h5,7,9,11,13,15,17H,4,6,8,10,12H2,1-3H3
InChIKeyQEYYLUDFKZMEKQ-UHFFFAOYSA-N
XLogP2.83
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]-1-propan-2-ylazepan-4-amine
CID 65073855
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 81376076
N-[1-(3-methoxyphenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103729416
4-ethyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]cyclohexan-1-amine
CID 81376641
1-ethyl-N-[1-(4-propoxyphenyl)ethyl]piperidin-3-amine
CID 61170753
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-ethylpiperidin-3-amine
CID 61171729
N-[1-(3-methoxyphenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 79690670
N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-propylcyclohexan-1-amine
CID 81375811
N-[1-(3-methoxyphenyl)ethyl]oxan-3-amine
CID 55188770
N-[1-(3-methoxyphenyl)ethyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 67407391
N-[1-(3-methoxyphenyl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 79690675
1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine
CID 61171341

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine?
The IUPAC name of 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine (CID 61171340) is 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine is CCN1CCCC(NC(C)c2cccc(OC)c2)C1.
What is the InChIKey of 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine?
The InChIKey is QEYYLUDFKZMEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-18-10-6-8-15(12-18)17-13(2)14-7-5-9-16(11-14)19-3/h5,7,9,11,13,15,17H,4,6,8,10,12H2,1-3H3.
What are the key properties of 1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine?
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine has a molecular weight of 262.40 g/mol, XLogP of 2.83, 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-(3-methoxyphenyl)ethyl]piperidin-3-amine is sourced from PubChem (CID 61171340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).