7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane

C13H24FN3 — CID 156836675

IUPAC7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCN1CC2(CCN(CC3CCN(F)C3)CC2)C1
InChIInChI=1S/C13H24FN3/c1-15-10-13(11-15)3-6-16(7-4-13)8-12-2-5-17(14)9-12/h12H,2-11H2,1H3
InChIKeyRFCCIMFJWYFPPI-UHFFFAOYSA-N
MW241.35 g/mol
LogP1.22
Rot. Bonds2

About 7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane

7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane (PubChem CID 156836675) has the molecular formula C13H24FN3 and a molecular weight of 241.35 g/mol. Its IUPAC name is 7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID156836675
Molecular FormulaC13H24FN3
Molecular Weight241.35 g/mol
Exact Mass241.20
IUPAC Name7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
SMILESCN1CC2(CCN(CC3CCN(F)C3)CC2)C1
InChIInChI=1S/C13H24FN3/c1-15-10-13(11-15)3-6-16(7-4-13)8-12-2-5-17(14)9-12/h12H,2-11H2,1H3
InChIKeyRFCCIMFJWYFPPI-UHFFFAOYSA-N
XLogP1.22
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane (CID 156836675) is 7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane is CN1CC2(CCN(CC3CCN(F)C3)CC2)C1.
What is the InChIKey of 7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is RFCCIMFJWYFPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN3/c1-15-10-13(11-15)3-6-16(7-4-13)8-12-2-5-17(14)9-12/h12H,2-11H2,1H3.
What are the key properties of 7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane?
7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 241.35 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 156836675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).