4-(methoxymethyl)-1-propan-2-ylpiperidine;4-propan-2-yl-1,4-oxazepane

C18H38N2O2 — CID 142358619

IUPAC4-(methoxymethyl)-1-propan-2-ylpiperidine;4-propan-2-yl-1,4-oxazepane
SMILESCC(C)N1CCCOCC1.COCC1CCN(C(C)C)CC1
InChIInChI=1S/C10H21NO.C8H17NO/c1-9(2)11-6-4-10(5-7-11)8-12-3;1-8(2)9-4-3-6-10-7-5-9/h9-10H,4-8H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyDYRGPUSNCJCSDR-UHFFFAOYSA-N
MW314.51 g/mol
LogP2.87
Rot. Bonds4

About 4-(methoxymethyl)-1-propan-2-ylpiperidine;4-propan-2-yl-1,4-oxazepane

4-(methoxymethyl)-1-propan-2-ylpiperidine;4-propan-2-yl-1,4-oxazepane (PubChem CID 142358619) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is 4-(methoxymethyl)-1-propan-2-ylpiperidine;4-propan-2-yl-1,4-oxazepane.

Molecular Properties

Compound Name4-(methoxymethyl)-1-propan-2-ylpiperidine;4-propan-2-yl-1,4-oxazepane
PubChem CID142358619
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC Name4-(methoxymethyl)-1-propan-2-ylpiperidine;4-propan-2-yl-1,4-oxazepane
SMILESCC(C)N1CCCOCC1.COCC1CCN(C(C)C)CC1
InChIInChI=1S/C10H21NO.C8H17NO/c1-9(2)11-6-4-10(5-7-11)8-12-3;1-8(2)9-4-3-6-10-7-5-9/h9-10H,4-8H2,1-3H3;8H,3-7H2,1-2H3
InChIKeyDYRGPUSNCJCSDR-UHFFFAOYSA-N
XLogP2.87
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(methoxymethyl)-1-propan-2-ylpiperidine;4-propan-2-yl-1,4-oxazepane 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 4-(methoxymethyl)-1-propan-2-ylpiperidine;4-propan-2-yl-1,4-oxazepane?
The IUPAC name of 4-(methoxymethyl)-1-propan-2-ylpiperidine;4-propan-2-yl-1,4-oxazepane (CID 142358619) is 4-(methoxymethyl)-1-propan-2-ylpiperidine;4-propan-2-yl-1,4-oxazepane.
What is the SMILES notation for 4-(methoxymethyl)-1-propan-2-ylpiperidine;4-propan-2-yl-1,4-oxazepane?
The canonical SMILES for 4-(methoxymethyl)-1-propan-2-ylpiperidine;4-propan-2-yl-1,4-oxazepane is CC(C)N1CCCOCC1.COCC1CCN(C(C)C)CC1.
What is the InChIKey of 4-(methoxymethyl)-1-propan-2-ylpiperidine;4-propan-2-yl-1,4-oxazepane?
The InChIKey is DYRGPUSNCJCSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C8H17NO/c1-9(2)11-6-4-10(5-7-11)8-12-3;1-8(2)9-4-3-6-10-7-5-9/h9-10H,4-8H2,1-3H3;8H,3-7H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-1-propan-2-ylpiperidine;4-propan-2-yl-1,4-oxazepane?
4-(methoxymethyl)-1-propan-2-ylpiperidine;4-propan-2-yl-1,4-oxazepane has a molecular weight of 314.51 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-1-propan-2-ylpiperidine;4-propan-2-yl-1,4-oxazepane is sourced from PubChem (CID 142358619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).