N-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethyl]piperidin-4-amine

C21H28N2O2 — CID 67167956

IUPACN-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethyl]piperidin-4-amine
SMILESCOc1cc(OC)cc(-c2ccccc2CCNC2CCNCC2)c1
InChIInChI=1S/C21H28N2O2/c1-24-19-13-17(14-20(15-19)25-2)21-6-4-3-5-16(21)7-12-23-18-8-10-22-11-9-18/h3-6,13-15,18,22-23H,7-12H2,1-2H3
InChIKeyFIWWVXOGEQAKKV-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.25
Rot. Bonds7

About N-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethyl]piperidin-4-amine

N-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethyl]piperidin-4-amine (PubChem CID 67167956) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethyl]piperidin-4-amine
PubChem CID67167956
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC NameN-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethyl]piperidin-4-amine
SMILESCOc1cc(OC)cc(-c2ccccc2CCNC2CCNCC2)c1
InChIInChI=1S/C21H28N2O2/c1-24-19-13-17(14-20(15-19)25-2)21-6-4-3-5-16(21)7-12-23-18-8-10-22-11-9-18/h3-6,13-15,18,22-23H,7-12H2,1-2H3
InChIKeyFIWWVXOGEQAKKV-UHFFFAOYSA-N
XLogP3.25
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-naphthalen-1-ylethyl)piperidin-4-amine
CID 115118495
N-[2-(4-methoxy-2,3-dimethylphenyl)ethyl]piperidin-4-amine
CID 115118464
N-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]piperidin-4-amine
CID 115118462
N-[2-(2,4-dimethoxyphenyl)ethyl]cyclopropanamine
CID 62801628
N-[2-(3-bromo-4-methoxyphenyl)ethyl]piperidin-4-amine
CID 115118441
N-[2-(2-methoxy-4,5-dimethylphenyl)ethyl]pyrrolidin-3-amine
CID 115118996
N-[(4-methoxyphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 53255554
3-(3,5-dimethoxyphenyl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 24865113
N-[2-(4-methylphenyl)ethyl]piperidin-4-amine
CID 22643507
1-[[2-(3-methoxyphenyl)phenyl]methyl]piperazine
CID 91111204
N-[2-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 113218952
N-(4-phenylbutyl)piperidin-4-amine
CID 44592823

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethyl]piperidin-4-amine?
The IUPAC name of N-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethyl]piperidin-4-amine (CID 67167956) is N-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethyl]piperidin-4-amine.
What is the SMILES notation for N-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethyl]piperidin-4-amine?
The canonical SMILES for N-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethyl]piperidin-4-amine is COc1cc(OC)cc(-c2ccccc2CCNC2CCNCC2)c1.
What is the InChIKey of N-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethyl]piperidin-4-amine?
The InChIKey is FIWWVXOGEQAKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-24-19-13-17(14-20(15-19)25-2)21-6-4-3-5-16(21)7-12-23-18-8-10-22-11-9-18/h3-6,13-15,18,22-23H,7-12H2,1-2H3.
What are the key properties of N-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethyl]piperidin-4-amine?
N-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethyl]piperidin-4-amine has a molecular weight of 340.47 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,5-dimethoxyphenyl)phenyl]ethyl]piperidin-4-amine is sourced from PubChem (CID 67167956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).