2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine

C21H28N2O — CID 54215740

IUPAC2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(COC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c22-13-16-23-14-11-18(12-15-23)17-24-21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21H,11-17,22H2
InChIKeyPZBCAMDFFPHGIA-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.46
Rot. Bonds7

About 2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine

2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine (PubChem CID 54215740) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine
PubChem CID54215740
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(COC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c22-13-16-23-14-11-18(12-15-23)17-24-21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21H,11-17,22H2
InChIKeyPZBCAMDFFPHGIA-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzhydryloxymethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine;tritiomethane
CID 159926566
1-(2-benzhydryloxyethyl)-4-benzylpiperidine
CID 127026610
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine
CID 10969393
4-(2-benzhydryloxyethyl)-1-(2-phenylethyl)piperidine
CID 10046504
2-(3-benzhydrylpyrrolidin-1-yl)ethanamine
CID 131855350
1-(2-benzhydryloxyethyl)azetidine
CID 23275348
1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol
CID 111114119
4-[cyclopropylmethoxy(phenyl)methyl]-1-fluoro-2-methylbenzene
CID 123624962
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658
2-(benzhydryloxymethyl)-1-methylpiperidine
CID 23337120
3-(benzhydryloxymethyl)-1-(1,3-benzodioxol-5-ylmethyl)pyrrolidine
CID 19004211
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(3R)-3-phenylbutyl]piperidine
CID 11628203

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine (CID 54215740) is 2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine is NCCN1CCC(COC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine?
The InChIKey is PZBCAMDFFPHGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c22-13-16-23-14-11-18(12-15-23)17-24-21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-10,18,21H,11-17,22H2.
What are the key properties of 2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine?
2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine has a molecular weight of 324.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzhydryloxymethyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 54215740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).