N-[2-(1,3-dioxan-2-yl)ethyl]-1-ethyl-N-methylpiperidin-4-amine

C14H28N2O2 — CID 66474518

IUPACN-[2-(1,3-dioxan-2-yl)ethyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)CCC2OCCCO2)CC1
InChIInChI=1S/C14H28N2O2/c1-3-16-9-5-13(6-10-16)15(2)8-7-14-17-11-4-12-18-14/h13-14H,3-12H2,1-2H3
InChIKeyMVWNSEWUWBOMHC-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.56
Rot. Bonds5

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

N-[2-(1,3-dioxan-2-yl)ethyl]-1-ethyl-N-methylpiperidin-4-amine (PubChem CID 66474518) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[2-(1,3-dioxan-2-yl)ethyl]-1-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(1,3-dioxan-2-yl)ethyl]-1-ethyl-N-methylpiperidin-4-amine
PubChem CID66474518
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-[2-(1,3-dioxan-2-yl)ethyl]-1-ethyl-N-methylpiperidin-4-amine
SMILESCCN1CCC(N(C)CCC2OCCCO2)CC1
InChIInChI=1S/C14H28N2O2/c1-3-16-9-5-13(6-10-16)15(2)8-7-14-17-11-4-12-18-14/h13-14H,3-12H2,1-2H3
InChIKeyMVWNSEWUWBOMHC-UHFFFAOYSA-N
XLogP1.56
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-1-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of N-[2-(1,3-dioxan-2-yl)ethyl]-1-ethyl-N-methylpiperidin-4-amine (CID 66474518) is N-[2-(1,3-dioxan-2-yl)ethyl]-1-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[2-(1,3-dioxan-2-yl)ethyl]-1-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for N-[2-(1,3-dioxan-2-yl)ethyl]-1-ethyl-N-methylpiperidin-4-amine is CCN1CCC(N(C)CCC2OCCCO2)CC1.
What is the InChIKey of N-[2-(1,3-dioxan-2-yl)ethyl]-1-ethyl-N-methylpiperidin-4-amine?
The InChIKey is MVWNSEWUWBOMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-3-16-9-5-13(6-10-16)15(2)8-7-14-17-11-4-12-18-14/h13-14H,3-12H2,1-2H3.
What are the key properties of N-[2-(1,3-dioxan-2-yl)ethyl]-1-ethyl-N-methylpiperidin-4-amine?
N-[2-(1,3-dioxan-2-yl)ethyl]-1-ethyl-N-methylpiperidin-4-amine has a molecular weight of 256.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dioxan-2-yl)ethyl]-1-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 66474518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).