N-(1,4-dioxan-2-ylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

C15H28N2O2 — CID 54907834

IUPACN-(1,4-dioxan-2-ylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC2COCCO2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(2)3-6-17-7-4-14(5-8-17)16-11-15-12-18-9-10-19-15/h3,14-16H,4-12H2,1-2H3
InChIKeyCMXNPZVUPFDIAM-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.42
Rot. Bonds5

About N-(1,4-dioxan-2-ylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine

N-(1,4-dioxan-2-ylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 54907834) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID54907834
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCC(C)=CCN1CCC(NCC2COCCO2)CC1
InChIInChI=1S/C15H28N2O2/c1-13(2)3-6-17-7-4-14(5-8-17)16-11-15-12-18-9-10-19-15/h3,14-16H,4-12H2,1-2H3
InChIKeyCMXNPZVUPFDIAM-UHFFFAOYSA-N
XLogP1.42
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 54907834) is N-(1,4-dioxan-2-ylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is CC(C)=CCN1CCC(NCC2COCCO2)CC1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is CMXNPZVUPFDIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(2)3-6-17-7-4-14(5-8-17)16-11-15-12-18-9-10-19-15/h3,14-16H,4-12H2,1-2H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-(1,4-dioxan-2-ylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 268.40 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 54907834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).