N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine

C17H28N2O — CID 43749138

IUPACN-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
SMILESCOc1ccc(C(C)NC(C)CN2CCCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-14(13-19-11-5-4-6-12-19)18-15(2)16-7-9-17(20-3)10-8-16/h7-10,14-15,18H,4-6,11-13H2,1-3H3
InChIKeyLSBCEWJBKJBQEL-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.22
Rot. Bonds6

About N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine

N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 43749138) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID43749138
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
SMILESCOc1ccc(C(C)NC(C)CN2CCCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-14(13-19-11-5-4-6-12-19)18-15(2)16-7-9-17(20-3)10-8-16/h7-10,14-15,18H,4-6,11-13H2,1-3H3
InChIKeyLSBCEWJBKJBQEL-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61471655
1-(4-methoxyphenyl)-N-[1-(4-methoxyphenyl)ethyl]ethanamine
CID 12644064
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 83076160
N-[1-(4-propylphenyl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472079
N-[1-(4-nitrophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749027
(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399
1-piperidin-1-yl-N-[1-(3,4,5-trifluorophenyl)ethyl]propan-2-amine
CID 86809048
1-cyclobutyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-2-amine
CID 104866403
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
N-[1-(3-bromophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749141
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749122

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine (CID 43749138) is N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine is COc1ccc(C(C)NC(C)CN2CCCCC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is LSBCEWJBKJBQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-14(13-19-11-5-4-6-12-19)18-15(2)16-7-9-17(20-3)10-8-16/h7-10,14-15,18H,4-6,11-13H2,1-3H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine?
N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 276.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 43749138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).