N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine

C18H26N2O2 — CID 90941848

IUPACN-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine
SMILESCN(C1CCNCC1)C(CC1=CC=CCC1)C1=COC=CO1
InChIInChI=1S/C18H26N2O2/c1-20(16-7-9-19-10-8-16)17(18-14-21-11-12-22-18)13-15-5-3-2-4-6-15/h2-3,5,11-12,14,16-17,19H,4,6-10,13H2,1H3
InChIKeyYHCSWGRQZSBBLS-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.06
Rot. Bonds5

About N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine

N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine (PubChem CID 90941848) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine
PubChem CID90941848
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine
SMILESCN(C1CCNCC1)C(CC1=CC=CCC1)C1=COC=CO1
InChIInChI=1S/C18H26N2O2/c1-20(16-7-9-19-10-8-16)17(18-14-21-11-12-22-18)13-15-5-3-2-4-6-15/h2-3,5,11-12,14,16-17,19H,4,6-10,13H2,1H3
InChIKeyYHCSWGRQZSBBLS-UHFFFAOYSA-N
XLogP3.06
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-N-methylpiperidin-4-amine
CID 66746280
(1R)-1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)methanamine
CID 67065381
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperazine
CID 68527248
N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-2-(1-methylpyrrolidin-2-yl)ethanamine
CID 68668840
1-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)methanamine
CID 68746131
1-[Cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidine
CID 71147185
2-[4-[[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-methylamino]piperidin-4-yl]ethanol
CID 90776847
1-[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3,5-dimethylpiperidine
CID 90817825
2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 90967186
2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)-N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)ethanamine
CID 91214620
1-[2-Cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-3-(2-methoxyethyl)piperidine
CID 91226907
N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]pyrrolidin-3-amine
CID 91259682

Frequently Asked Questions

What is the IUPAC name of N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine (CID 90941848) is N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine is CN(C1CCNCC1)C(CC1=CC=CCC1)C1=COC=CO1.
What is the InChIKey of N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine?
The InChIKey is YHCSWGRQZSBBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-20(16-7-9-19-10-8-16)17(18-14-21-11-12-22-18)13-15-5-3-2-4-6-15/h2-3,5,11-12,14,16-17,19H,4,6-10,13H2,1H3.
What are the key properties of N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine?
N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine has a molecular weight of 302.42 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclohexa-1,3-dien-1-yl-1-(1,4-dioxin-2-yl)ethyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 90941848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).