(5S)-7-(3-fluoro-4-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane

C14H20FN3 — CID 164633602

IUPAC(5S)-7-(3-fluoro-4-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane
SMILESCN1CC[C@@]2(CCCN(c3ccncc3F)C2)C1
InChIInChI=1S/C14H20FN3/c1-17-8-5-14(10-17)4-2-7-18(11-14)13-3-6-16-9-12(13)15/h3,6,9H,2,4-5,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyFDWSEWNRUJUWMY-AWEZNQCLSA-N
MW249.33 g/mol
LogP2.14
Rot. Bonds1

About (5S)-7-(3-fluoro-4-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane

(5S)-7-(3-fluoro-4-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane (PubChem CID 164633602) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is (5S)-7-(3-fluoro-4-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-7-(3-fluoro-4-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane
PubChem CID164633602
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name(5S)-7-(3-fluoro-4-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane
SMILESCN1CC[C@@]2(CCCN(c3ccncc3F)C2)C1
InChIInChI=1S/C14H20FN3/c1-17-8-5-14(10-17)4-2-7-18(11-14)13-3-6-16-9-12(13)15/h3,6,9H,2,4-5,7-8,10-11H2,1H3/t14-/m0/s1
InChIKeyFDWSEWNRUJUWMY-AWEZNQCLSA-N
XLogP2.14
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(3-fluoro-4-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane?
The IUPAC name of (5S)-7-(3-fluoro-4-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane (CID 164633602) is (5S)-7-(3-fluoro-4-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-7-(3-fluoro-4-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-7-(3-fluoro-4-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane is CN1CC[C@@]2(CCCN(c3ccncc3F)C2)C1.
What is the InChIKey of (5S)-7-(3-fluoro-4-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane?
The InChIKey is FDWSEWNRUJUWMY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H20FN3/c1-17-8-5-14(10-17)4-2-7-18(11-14)13-3-6-16-9-12(13)15/h3,6,9H,2,4-5,7-8,10-11H2,1H3/t14-/m0/s1.
What are the key properties of (5S)-7-(3-fluoro-4-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane?
(5S)-7-(3-fluoro-4-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane has a molecular weight of 249.33 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(3-fluoro-4-pyridinyl)-2-methyl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 164633602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).