(6R)-6-(2-methoxyethoxy)-4-(1-methylpiperidin-4-yl)-1,4-oxazepane

C14H28N2O3 — CID 75367809

IUPAC(6R)-6-(2-methoxyethoxy)-4-(1-methylpiperidin-4-yl)-1,4-oxazepane
SMILESCOCCO[C@H]1COCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C14H28N2O3/c1-15-5-3-13(4-6-15)16-7-8-18-12-14(11-16)19-10-9-17-2/h13-14H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyPPBHCPWIKJRQEH-CQSZACIVSA-N
MW272.39 g/mol
LogP0.44
Rot. Bonds5

About (6R)-6-(2-methoxyethoxy)-4-(1-methylpiperidin-4-yl)-1,4-oxazepane

(6R)-6-(2-methoxyethoxy)-4-(1-methylpiperidin-4-yl)-1,4-oxazepane (PubChem CID 75367809) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is (6R)-6-(2-methoxyethoxy)-4-(1-methylpiperidin-4-yl)-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-6-(2-methoxyethoxy)-4-(1-methylpiperidin-4-yl)-1,4-oxazepane
PubChem CID75367809
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name(6R)-6-(2-methoxyethoxy)-4-(1-methylpiperidin-4-yl)-1,4-oxazepane
SMILESCOCCO[C@H]1COCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C14H28N2O3/c1-15-5-3-13(4-6-15)16-7-8-18-12-14(11-16)19-10-9-17-2/h13-14H,3-12H2,1-2H3/t14-/m1/s1
InChIKeyPPBHCPWIKJRQEH-CQSZACIVSA-N
XLogP0.44
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(2-methoxyethoxy)-4-(1-methylpiperidin-4-yl)-1,4-oxazepane?
The IUPAC name of (6R)-6-(2-methoxyethoxy)-4-(1-methylpiperidin-4-yl)-1,4-oxazepane (CID 75367809) is (6R)-6-(2-methoxyethoxy)-4-(1-methylpiperidin-4-yl)-1,4-oxazepane.
What is the SMILES notation for (6R)-6-(2-methoxyethoxy)-4-(1-methylpiperidin-4-yl)-1,4-oxazepane?
The canonical SMILES for (6R)-6-(2-methoxyethoxy)-4-(1-methylpiperidin-4-yl)-1,4-oxazepane is COCCO[C@H]1COCCN(C2CCN(C)CC2)C1.
What is the InChIKey of (6R)-6-(2-methoxyethoxy)-4-(1-methylpiperidin-4-yl)-1,4-oxazepane?
The InChIKey is PPBHCPWIKJRQEH-CQSZACIVSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-15-5-3-13(4-6-15)16-7-8-18-12-14(11-16)19-10-9-17-2/h13-14H,3-12H2,1-2H3/t14-/m1/s1.
What are the key properties of (6R)-6-(2-methoxyethoxy)-4-(1-methylpiperidin-4-yl)-1,4-oxazepane?
(6R)-6-(2-methoxyethoxy)-4-(1-methylpiperidin-4-yl)-1,4-oxazepane has a molecular weight of 272.39 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(2-methoxyethoxy)-4-(1-methylpiperidin-4-yl)-1,4-oxazepane is sourced from PubChem (CID 75367809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).