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

C20H26N2O — CID 68835193

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline
SMILESCOc1ccc(CCNc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C20H26N2O/c1-23-18-11-9-17(10-12-18)13-14-21-19-7-3-4-8-20(19)22-15-5-2-6-16-22/h3-4,7-12,21H,2,5-6,13-16H2,1H3
InChIKeyIDCIJOMKARADSP-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.34
Rot. Bonds6

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

N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline (PubChem CID 68835193) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline
PubChem CID68835193
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline
SMILESCOc1ccc(CCNc2ccccc2N2CCCCC2)cc1
InChIInChI=1S/C20H26N2O/c1-23-18-11-9-17(10-12-18)13-14-21-19-7-3-4-8-20(19)22-15-5-2-6-16-22/h3-4,7-12,21H,2,5-6,13-16H2,1H3
InChIKeyIDCIJOMKARADSP-UHFFFAOYSA-N
XLogP4.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-phenoxyethyl)-2-piperidin-1-ylaniline
CID 78820561
N-[2-(4-methoxyphenyl)ethyl]-2-methylsulfanylaniline
CID 103731067
2,3-dichloro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 54797935
N-[2-(4-methoxyphenyl)ethyl]-2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112879966
2,3-difluoro-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446531
2-(1-chloroethyl)-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 65446525
2-[2-(4-methoxyphenyl)ethylamino]-N-(2-morpholin-4-ylphenyl)acetamide;oxalic acid
CID 175652884
2-butoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 54801636
N-butyl-2-piperidin-1-ylaniline;toluene
CID 174677024
2-(4-methoxyphenoxy)-N-(2-piperidin-1-ylphenyl)propanamide
CID 42935521
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
CID 43229105
2-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]aniline
CID 82538755

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline (CID 68835193) is N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline is COc1ccc(CCNc2ccccc2N2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline?
The InChIKey is IDCIJOMKARADSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-23-18-11-9-17(10-12-18)13-14-21-19-7-3-4-8-20(19)22-15-5-2-6-16-22/h3-4,7-12,21H,2,5-6,13-16H2,1H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline?
N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline has a molecular weight of 310.44 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-piperidin-1-ylaniline is sourced from PubChem (CID 68835193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).