4-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine

C16H21NO2 — CID 56998454

IUPAC4-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine
SMILESC1=CCCC(CC2=COC(C3CCNCC3)=CO2)=C1
InChIInChI=1S/C16H21NO2/c1-2-4-13(5-3-1)10-15-11-19-16(12-18-15)14-6-8-17-9-7-14/h1-2,4,11-12,14,17H,3,5-10H2
InChIKeySHGZPTYZTCXGAX-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.38
Rot. Bonds3

About 4-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine

4-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine (PubChem CID 56998454) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine.

Molecular Properties

Compound Name4-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine
PubChem CID56998454
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name4-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine
SMILESC1=CCCC(CC2=COC(C3CCNCC3)=CO2)=C1
InChIInChI=1S/C16H21NO2/c1-2-4-13(5-3-1)10-15-11-19-16(12-18-15)14-6-8-17-9-7-14/h1-2,4,11-12,14,17H,3,5-10H2
InChIKeySHGZPTYZTCXGAX-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)methanamine
CID 67065381
4-(5-Cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)piperidine
CID 67620970
4-(4a,7,8,9-Tetrahydrodibenzofuran-2-yl)piperidine
CID 88788850
4-[[(1E,3Z)-1-(2-methylcyclobutyl)penta-1,3-dienoxy]methyl]piperidine
CID 89067072
4-[[3,4-Bis(ethenyl)cyclohex-3-en-1-yl]oxymethyl]piperidine
CID 123483470
4-[3-(4-Methoxycyclohexa-1,3-dien-1-yl)oxypropyl]piperidine
CID 139632101
(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine;ethane
CID 143093704
(1R)-1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-[[(3R)-piperidin-3-yl]methyl]methanamine
CID 174473223
(3S)-3-(2-cyclohexa-1,3-dien-1-yloxyethyl)piperidine
CID 143093705

Frequently Asked Questions

What is the IUPAC name of 4-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine?
The IUPAC name of 4-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine (CID 56998454) is 4-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine.
What is the SMILES notation for 4-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine?
The canonical SMILES for 4-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine is C1=CCCC(CC2=COC(C3CCNCC3)=CO2)=C1.
What is the InChIKey of 4-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine?
The InChIKey is SHGZPTYZTCXGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-4-13(5-3-1)10-15-11-19-16(12-18-15)14-6-8-17-9-7-14/h1-2,4,11-12,14,17H,3,5-10H2.
What are the key properties of 4-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine?
4-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine has a molecular weight of 259.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]piperidine is sourced from PubChem (CID 56998454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).