2-[3-[(4-phenylmethoxypiperidin-1-yl)methyl]phenyl]ethanamine

C21H28N2O — CID 56904831

IUPAC2-[3-[(4-phenylmethoxypiperidin-1-yl)methyl]phenyl]ethanamine
SMILESNCCc1cccc(CN2CCC(OCc3ccccc3)CC2)c1
InChIInChI=1S/C21H28N2O/c22-12-9-18-7-4-8-20(15-18)16-23-13-10-21(11-14-23)24-17-19-5-2-1-3-6-19/h1-8,15,21H,9-14,16-17,22H2
InChIKeyYOVRJKXLUSHSRL-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.37
Rot. Bonds7

About 2-[3-[(4-phenylmethoxypiperidin-1-yl)methyl]phenyl]ethanamine

2-[3-[(4-phenylmethoxypiperidin-1-yl)methyl]phenyl]ethanamine (PubChem CID 56904831) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[3-[(4-phenylmethoxypiperidin-1-yl)methyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[(4-phenylmethoxypiperidin-1-yl)methyl]phenyl]ethanamine
PubChem CID56904831
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name2-[3-[(4-phenylmethoxypiperidin-1-yl)methyl]phenyl]ethanamine
SMILESNCCc1cccc(CN2CCC(OCc3ccccc3)CC2)c1
InChIInChI=1S/C21H28N2O/c22-12-9-18-7-4-8-20(15-18)16-23-13-10-21(11-14-23)24-17-19-5-2-1-3-6-19/h1-8,15,21H,9-14,16-17,22H2
InChIKeyYOVRJKXLUSHSRL-UHFFFAOYSA-N
XLogP3.37
TPSA38.49 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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 50994498
1'-benzyl-1-(4-fluorobutyl)spiro[1H-2-benzofuran-3,4'-piperidine]
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4-[2-(Diphenylmethoxy)ethyl]-1-[(4-iodophenyl)methyl]piperidine
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(S)-2-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-phenylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-phenylmethoxypiperidin-1-yl)methyl]phenyl]ethanamine?
The IUPAC name of 2-[3-[(4-phenylmethoxypiperidin-1-yl)methyl]phenyl]ethanamine (CID 56904831) is 2-[3-[(4-phenylmethoxypiperidin-1-yl)methyl]phenyl]ethanamine.
What is the SMILES notation for 2-[3-[(4-phenylmethoxypiperidin-1-yl)methyl]phenyl]ethanamine?
The canonical SMILES for 2-[3-[(4-phenylmethoxypiperidin-1-yl)methyl]phenyl]ethanamine is NCCc1cccc(CN2CCC(OCc3ccccc3)CC2)c1.
What is the InChIKey of 2-[3-[(4-phenylmethoxypiperidin-1-yl)methyl]phenyl]ethanamine?
The InChIKey is YOVRJKXLUSHSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c22-12-9-18-7-4-8-20(15-18)16-23-13-10-21(11-14-23)24-17-19-5-2-1-3-6-19/h1-8,15,21H,9-14,16-17,22H2.
What are the key properties of 2-[3-[(4-phenylmethoxypiperidin-1-yl)methyl]phenyl]ethanamine?
2-[3-[(4-phenylmethoxypiperidin-1-yl)methyl]phenyl]ethanamine has a molecular weight of 324.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-phenylmethoxypiperidin-1-yl)methyl]phenyl]ethanamine is sourced from PubChem (CID 56904831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).