N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine

C17H28N2O — CID 81371064

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCOc1ccc([C@@H](C)NC(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-13(15-5-7-17(20-4)8-6-15)18-14(2)16-9-11-19(3)12-10-16/h5-8,13-14,16,18H,9-12H2,1-4H3/t13-,14?/m1/s1
InChIKeyMSAKDRREFUXTNA-KWCCSABGSA-N
MW276.42 g/mol
LogP3.08
Rot. Bonds5

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine

N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 81371064) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
PubChem CID81371064
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
SMILESCOc1ccc([C@@H](C)NC(C)C2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2O/c1-13(15-5-7-17(20-4)8-6-15)18-14(2)16-9-11-19(3)12-10-16/h5-8,13-14,16,18H,9-12H2,1-4H3/t13-,14?/m1/s1
InChIKeyMSAKDRREFUXTNA-KWCCSABGSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 115714644
N-[1-(4-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 54863063
N-[1-(4-methoxyphenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949814
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
1-cyclobutyl-N-[cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 115708071
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43689421
N-[1-(4-ethoxyphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43734733
1-cyclopropyl-N-[1-(4-propoxyphenyl)ethyl]ethanamine
CID 43533265
1-cyclopropyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]butan-1-amine
CID 114275947
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 43685208
N-[(1S)-1-cycloheptylethyl]-1-(4-methoxyphenyl)propan-1-amine
CID 81389074
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine (CID 81371064) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine is COc1ccc([C@@H](C)NC(C)C2CCN(C)CC2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is MSAKDRREFUXTNA-KWCCSABGSA-N. The full InChI is InChI=1S/C17H28N2O/c1-13(15-5-7-17(20-4)8-6-15)18-14(2)16-9-11-19(3)12-10-16/h5-8,13-14,16,18H,9-12H2,1-4H3/t13-,14?/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 81371064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).