ethane;7-N-(1-fluoropiperidin-4-yl)-7-N-methyl-5-oxa-2-azaspiro[3.4]octane-2,7-diamine

C14H29FN4O — CID 177240244

IUPACethane;7-N-(1-fluoropiperidin-4-yl)-7-N-methyl-5-oxa-2-azaspiro[3.4]octane-2,7-diamine
SMILESCC.CN(C1CCN(F)CC1)C1COC2(C1)CN(N)C2
InChIInChI=1S/C12H23FN4O.C2H6/c1-15(10-2-4-16(13)5-3-10)11-6-12(18-7-11)8-17(14)9-12;1-2/h10-11H,2-9,14H2,1H3;1-2H3
InChIKeyJJFVEEXDZPJVRC-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.01
Rot. Bonds2

About ethane;7-N-(1-fluoropiperidin-4-yl)-7-N-methyl-5-oxa-2-azaspiro[3.4]octane-2,7-diamine

ethane;7-N-(1-fluoropiperidin-4-yl)-7-N-methyl-5-oxa-2-azaspiro[3.4]octane-2,7-diamine (PubChem CID 177240244) has the molecular formula C14H29FN4O and a molecular weight of 288.41 g/mol. Its IUPAC name is ethane;7-N-(1-fluoropiperidin-4-yl)-7-N-methyl-5-oxa-2-azaspiro[3.4]octane-2,7-diamine.

Molecular Properties

Compound Nameethane;7-N-(1-fluoropiperidin-4-yl)-7-N-methyl-5-oxa-2-azaspiro[3.4]octane-2,7-diamine
PubChem CID177240244
Molecular FormulaC14H29FN4O
Molecular Weight288.41 g/mol
Exact Mass288.23
IUPAC Nameethane;7-N-(1-fluoropiperidin-4-yl)-7-N-methyl-5-oxa-2-azaspiro[3.4]octane-2,7-diamine
SMILESCC.CN(C1CCN(F)CC1)C1COC2(C1)CN(N)C2
InChIInChI=1S/C12H23FN4O.C2H6/c1-15(10-2-4-16(13)5-3-10)11-6-12(18-7-11)8-17(14)9-12;1-2/h10-11H,2-9,14H2,1H3;1-2H3
InChIKeyJJFVEEXDZPJVRC-UHFFFAOYSA-N
XLogP1.01
TPSA44.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;7-N-(1-fluoropiperidin-4-yl)-7-N-methyl-5-oxa-2-azaspiro[3.4]octane-2,7-diamine?
The IUPAC name of ethane;7-N-(1-fluoropiperidin-4-yl)-7-N-methyl-5-oxa-2-azaspiro[3.4]octane-2,7-diamine (CID 177240244) is ethane;7-N-(1-fluoropiperidin-4-yl)-7-N-methyl-5-oxa-2-azaspiro[3.4]octane-2,7-diamine.
What is the SMILES notation for ethane;7-N-(1-fluoropiperidin-4-yl)-7-N-methyl-5-oxa-2-azaspiro[3.4]octane-2,7-diamine?
The canonical SMILES for ethane;7-N-(1-fluoropiperidin-4-yl)-7-N-methyl-5-oxa-2-azaspiro[3.4]octane-2,7-diamine is CC.CN(C1CCN(F)CC1)C1COC2(C1)CN(N)C2.
What is the InChIKey of ethane;7-N-(1-fluoropiperidin-4-yl)-7-N-methyl-5-oxa-2-azaspiro[3.4]octane-2,7-diamine?
The InChIKey is JJFVEEXDZPJVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN4O.C2H6/c1-15(10-2-4-16(13)5-3-10)11-6-12(18-7-11)8-17(14)9-12;1-2/h10-11H,2-9,14H2,1H3;1-2H3.
What are the key properties of ethane;7-N-(1-fluoropiperidin-4-yl)-7-N-methyl-5-oxa-2-azaspiro[3.4]octane-2,7-diamine?
ethane;7-N-(1-fluoropiperidin-4-yl)-7-N-methyl-5-oxa-2-azaspiro[3.4]octane-2,7-diamine has a molecular weight of 288.41 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-N-(1-fluoropiperidin-4-yl)-7-N-methyl-5-oxa-2-azaspiro[3.4]octane-2,7-diamine is sourced from PubChem (CID 177240244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).