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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Related Compounds

(3aR,6aS)-5-[2-(2,6-dimethylphenoxy)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120967173
1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-amine;hydrochloride
CID 120965850
1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-3-yl]piperazin-2-one
CID 120983046
1-[2-(2-methylphenoxy)ethyl]-3-pyrrolidin-2-ylpiperidine
CID 60978976
1-[1-[2-(2,6-dimethylphenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 120966169
1-[6-(2,6-dimethylphenoxy)hexyl]piperidine
CID 2304722
[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 112612262
[1-[3-(2,6-dimethylphenoxy)propyl]pyrrolidin-3-yl]methanol
CID 111442606
(2R)-4-[3-(2,6-dimethylphenoxy)propyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129342344
1-benzyl-4-[2-(2,6-dimethylphenoxy)ethyl]piperazine
CID 11278783
[1-[2-(2-methylphenoxy)ethyl]piperidin-3-yl]methanol
CID 60645197
3-methyl-2-(2-piperidin-1-ylethoxy)benzonitrile
CID 107107531

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).