3-(benzhydryloxymethyl)-1-ethylpiperidine

C21H27NO — CID 3064302

IUPAC3-(benzhydryloxymethyl)-1-ethylpiperidine
SMILESCCN1CCCC(COC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H27NO/c1-2-22-15-9-10-18(16-22)17-23-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18,21H,2,9-10,15-17H2,1H3
InChIKeyKFADLSDOYZESSH-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.52
Rot. Bonds6

About 3-(benzhydryloxymethyl)-1-ethylpiperidine

3-(benzhydryloxymethyl)-1-ethylpiperidine (PubChem CID 3064302) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-(benzhydryloxymethyl)-1-ethylpiperidine.

Molecular Properties

Compound Name3-(benzhydryloxymethyl)-1-ethylpiperidine
PubChem CID3064302
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name3-(benzhydryloxymethyl)-1-ethylpiperidine
SMILESCCN1CCCC(COC(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H27NO/c1-2-22-15-9-10-18(16-22)17-23-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18,21H,2,9-10,15-17H2,1H3
InChIKeyKFADLSDOYZESSH-UHFFFAOYSA-N
XLogP4.52
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(benzhydryloxymethyl)-1-ethylpiperidine?
The IUPAC name of 3-(benzhydryloxymethyl)-1-ethylpiperidine (CID 3064302) is 3-(benzhydryloxymethyl)-1-ethylpiperidine.
What is the SMILES notation for 3-(benzhydryloxymethyl)-1-ethylpiperidine?
The canonical SMILES for 3-(benzhydryloxymethyl)-1-ethylpiperidine is CCN1CCCC(COC(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 3-(benzhydryloxymethyl)-1-ethylpiperidine?
The InChIKey is KFADLSDOYZESSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-2-22-15-9-10-18(16-22)17-23-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-8,11-14,18,21H,2,9-10,15-17H2,1H3.
What are the key properties of 3-(benzhydryloxymethyl)-1-ethylpiperidine?
3-(benzhydryloxymethyl)-1-ethylpiperidine has a molecular weight of 309.45 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzhydryloxymethyl)-1-ethylpiperidine is sourced from PubChem (CID 3064302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).