1-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3-dioxolan-2-yl)piperidine

C18H27NO3 — CID 56554923

IUPAC1-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3-dioxolan-2-yl)piperidine
SMILESCc1cccc(C)c1OCCN1CCCC(C2OCCO2)C1
InChIInChI=1S/C18H27NO3/c1-14-5-3-6-15(2)17(14)20-10-9-19-8-4-7-16(13-19)18-21-11-12-22-18/h3,5-6,16,18H,4,7-13H2,1-2H3
InChIKeyDKWLKVUKOJSAOK-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.77
Rot. Bonds5

About 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3-dioxolan-2-yl)piperidine

1-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3-dioxolan-2-yl)piperidine (PubChem CID 56554923) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3-dioxolan-2-yl)piperidine.

Molecular Properties

Compound Name1-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3-dioxolan-2-yl)piperidine
PubChem CID56554923
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name1-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3-dioxolan-2-yl)piperidine
SMILESCc1cccc(C)c1OCCN1CCCC(C2OCCO2)C1
InChIInChI=1S/C18H27NO3/c1-14-5-3-6-15(2)17(14)20-10-9-19-8-4-7-16(13-19)18-21-11-12-22-18/h3,5-6,16,18H,4,7-13H2,1-2H3
InChIKeyDKWLKVUKOJSAOK-UHFFFAOYSA-N
XLogP2.77
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3-dioxolan-2-yl)piperidine?
The IUPAC name of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3-dioxolan-2-yl)piperidine (CID 56554923) is 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3-dioxolan-2-yl)piperidine.
What is the SMILES notation for 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3-dioxolan-2-yl)piperidine?
The canonical SMILES for 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3-dioxolan-2-yl)piperidine is Cc1cccc(C)c1OCCN1CCCC(C2OCCO2)C1.
What is the InChIKey of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3-dioxolan-2-yl)piperidine?
The InChIKey is DKWLKVUKOJSAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14-5-3-6-15(2)17(14)20-10-9-19-8-4-7-16(13-19)18-21-11-12-22-18/h3,5-6,16,18H,4,7-13H2,1-2H3.
What are the key properties of 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3-dioxolan-2-yl)piperidine?
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3-dioxolan-2-yl)piperidine has a molecular weight of 305.42 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3-dioxolan-2-yl)piperidine is sourced from PubChem (CID 56554923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).