N-methyl-2-[4-[(3-phenylphenyl)methoxy]piperidin-1-yl]ethanamine

C21H28N2O — CID 134153978

IUPACN-methyl-2-[4-[(3-phenylphenyl)methoxy]piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(OCc2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C21H28N2O/c1-22-12-15-23-13-10-21(11-14-23)24-17-18-6-5-9-20(16-18)19-7-3-2-4-8-19/h2-9,16,21-22H,10-15,17H2,1H3
InChIKeyOLFLGFYCUQONAR-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.55
Rot. Bonds7

About N-methyl-2-[4-[(3-phenylphenyl)methoxy]piperidin-1-yl]ethanamine

N-methyl-2-[4-[(3-phenylphenyl)methoxy]piperidin-1-yl]ethanamine (PubChem CID 134153978) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is N-methyl-2-[4-[(3-phenylphenyl)methoxy]piperidin-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-[(3-phenylphenyl)methoxy]piperidin-1-yl]ethanamine
PubChem CID134153978
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC NameN-methyl-2-[4-[(3-phenylphenyl)methoxy]piperidin-1-yl]ethanamine
SMILESCNCCN1CCC(OCc2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C21H28N2O/c1-22-12-15-23-13-10-21(11-14-23)24-17-18-6-5-9-20(16-18)19-7-3-2-4-8-19/h2-9,16,21-22H,10-15,17H2,1H3
InChIKeyOLFLGFYCUQONAR-UHFFFAOYSA-N
XLogP3.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-[(3-phenylphenyl)methoxy]piperidin-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-[(3-phenylphenyl)methoxy]piperidin-1-yl]ethanamine (CID 134153978) is N-methyl-2-[4-[(3-phenylphenyl)methoxy]piperidin-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-[(3-phenylphenyl)methoxy]piperidin-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-[(3-phenylphenyl)methoxy]piperidin-1-yl]ethanamine is CNCCN1CCC(OCc2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of N-methyl-2-[4-[(3-phenylphenyl)methoxy]piperidin-1-yl]ethanamine?
The InChIKey is OLFLGFYCUQONAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c1-22-12-15-23-13-10-21(11-14-23)24-17-18-6-5-9-20(16-18)19-7-3-2-4-8-19/h2-9,16,21-22H,10-15,17H2,1H3.
What are the key properties of N-methyl-2-[4-[(3-phenylphenyl)methoxy]piperidin-1-yl]ethanamine?
N-methyl-2-[4-[(3-phenylphenyl)methoxy]piperidin-1-yl]ethanamine has a molecular weight of 324.47 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-[(3-phenylphenyl)methoxy]piperidin-1-yl]ethanamine is sourced from PubChem (CID 134153978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).