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

C17H24N2O2 — CID 66746280

IUPACN-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-N-methylpiperidin-4-amine
SMILESCN(C1CCNCC1)C(C1=CC=CCC1)C1=COC=CO1
InChIInChI=1S/C17H24N2O2/c1-19(15-7-9-18-10-8-15)17(14-5-3-2-4-6-14)16-13-20-11-12-21-16/h2-3,5,11-13,15,17-18H,4,6-10H2,1H3
InChIKeyPWZHJULPHKXSSJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.67
Rot. Bonds4

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

N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-N-methylpiperidin-4-amine (PubChem CID 66746280) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-N-methylpiperidin-4-amine
PubChem CID66746280
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-N-methylpiperidin-4-amine
SMILESCN(C1CCNCC1)C(C1=CC=CCC1)C1=COC=CO1
InChIInChI=1S/C17H24N2O2/c1-19(15-7-9-18-10-8-15)17(14-5-3-2-4-6-14)16-13-20-11-12-21-16/h2-3,5,11-13,15,17-18H,4,6-10H2,1H3
InChIKeyPWZHJULPHKXSSJ-UHFFFAOYSA-N
XLogP2.67
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-N-methylpiperidin-4-amine (CID 66746280) is N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-N-methylpiperidin-4-amine is CN(C1CCNCC1)C(C1=CC=CCC1)C1=COC=CO1.
What is the InChIKey of N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is PWZHJULPHKXSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19(15-7-9-18-10-8-15)17(14-5-3-2-4-6-14)16-13-20-11-12-21-16/h2-3,5,11-13,15,17-18H,4,6-10H2,1H3.
What are the key properties of N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-N-methylpiperidin-4-amine?
N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 288.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 66746280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).