4-[[4-(2-ethylbutoxymethyl)phenyl]methoxy]piperidine

C19H31NO2 — CID 20735352

IUPAC4-[[4-(2-ethylbutoxymethyl)phenyl]methoxy]piperidine
SMILESCCC(CC)COCc1ccc(COC2CCNCC2)cc1
InChIInChI=1S/C19H31NO2/c1-3-16(4-2)13-21-14-17-5-7-18(8-6-17)15-22-19-9-11-20-12-10-19/h5-8,16,19-20H,3-4,9-15H2,1-2H3
InChIKeyPYGNAZUIDRMUFH-UHFFFAOYSA-N
MW305.46 g/mol
LogP3.91
Rot. Bonds9

About 4-[[4-(2-ethylbutoxymethyl)phenyl]methoxy]piperidine

4-[[4-(2-ethylbutoxymethyl)phenyl]methoxy]piperidine (PubChem CID 20735352) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 4-[[4-(2-ethylbutoxymethyl)phenyl]methoxy]piperidine.

Molecular Properties

Compound Name4-[[4-(2-ethylbutoxymethyl)phenyl]methoxy]piperidine
PubChem CID20735352
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name4-[[4-(2-ethylbutoxymethyl)phenyl]methoxy]piperidine
SMILESCCC(CC)COCc1ccc(COC2CCNCC2)cc1
InChIInChI=1S/C19H31NO2/c1-3-16(4-2)13-21-14-17-5-7-18(8-6-17)15-22-19-9-11-20-12-10-19/h5-8,16,19-20H,3-4,9-15H2,1-2H3
InChIKeyPYGNAZUIDRMUFH-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-ethylbutoxymethyl)phenyl]methoxy]piperidine?
The IUPAC name of 4-[[4-(2-ethylbutoxymethyl)phenyl]methoxy]piperidine (CID 20735352) is 4-[[4-(2-ethylbutoxymethyl)phenyl]methoxy]piperidine.
What is the SMILES notation for 4-[[4-(2-ethylbutoxymethyl)phenyl]methoxy]piperidine?
The canonical SMILES for 4-[[4-(2-ethylbutoxymethyl)phenyl]methoxy]piperidine is CCC(CC)COCc1ccc(COC2CCNCC2)cc1.
What is the InChIKey of 4-[[4-(2-ethylbutoxymethyl)phenyl]methoxy]piperidine?
The InChIKey is PYGNAZUIDRMUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-3-16(4-2)13-21-14-17-5-7-18(8-6-17)15-22-19-9-11-20-12-10-19/h5-8,16,19-20H,3-4,9-15H2,1-2H3.
What are the key properties of 4-[[4-(2-ethylbutoxymethyl)phenyl]methoxy]piperidine?
4-[[4-(2-ethylbutoxymethyl)phenyl]methoxy]piperidine has a molecular weight of 305.46 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-ethylbutoxymethyl)phenyl]methoxy]piperidine is sourced from PubChem (CID 20735352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).