(5R,6R)-6-fluoro-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane

C14H20FN3 — CID 98778577

IUPAC(5R,6R)-6-fluoro-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESF[C@@H]1CCNC[C@@]12CCN(Cc1ccncc1)C2
InChIInChI=1S/C14H20FN3/c15-13-3-7-17-10-14(13)4-8-18(11-14)9-12-1-5-16-6-2-12/h1-2,5-6,13,17H,3-4,7-11H2/t13-,14-/m1/s1
InChIKeyPAYRGVYUQFNYRC-ZIAGYGMSSA-N
MW249.33 g/mol
LogP1.61
Rot. Bonds2

About (5R,6R)-6-fluoro-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane

(5R,6R)-6-fluoro-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane (PubChem CID 98778577) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is (5R,6R)-6-fluoro-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5R,6R)-6-fluoro-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane
PubChem CID98778577
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name(5R,6R)-6-fluoro-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane
SMILESF[C@@H]1CCNC[C@@]12CCN(Cc1ccncc1)C2
InChIInChI=1S/C14H20FN3/c15-13-3-7-17-10-14(13)4-8-18(11-14)9-12-1-5-16-6-2-12/h1-2,5-6,13,17H,3-4,7-11H2/t13-,14-/m1/s1
InChIKeyPAYRGVYUQFNYRC-ZIAGYGMSSA-N
XLogP1.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-2,10-diazaspiro[4.6]undecan-6-ol
CID 83488694
3-methyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 103729349
(5S,9R)-N-methyl-2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonane-9-carboxamide
CID 98895982
morpholin-4-yl-[2-(pyridin-4-ylmethyl)-2-azaspiro[4.4]nonan-9-yl]methanone
CID 131697489
(10R,11S)-10,11-dihydroxy-3-(pyridin-4-ylmethyl)-8-oxa-3,14-diazaspiro[5.12]octadecan-7-one;trihydrochloride
CID 171687673
2-cyclopropylsulfonyl-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97369827
2-(furan-3-ylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane
CID 97369823
4-(methoxymethyl)-8-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131644985
4-[(3-fluoropiperidin-1-yl)methyl]pyridine
CID 171701781
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
2-(cyclopropylmethyl)-7-(pyridin-4-ylmethyl)-2,7-diazaspiro[3.4]octane;tris(2,2,2-trifluoroacetic acid)
CID 155829242
2-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907233

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-6-fluoro-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5R,6R)-6-fluoro-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane (CID 98778577) is (5R,6R)-6-fluoro-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5R,6R)-6-fluoro-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5R,6R)-6-fluoro-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane is F[C@@H]1CCNC[C@@]12CCN(Cc1ccncc1)C2.
What is the InChIKey of (5R,6R)-6-fluoro-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane?
The InChIKey is PAYRGVYUQFNYRC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H20FN3/c15-13-3-7-17-10-14(13)4-8-18(11-14)9-12-1-5-16-6-2-12/h1-2,5-6,13,17H,3-4,7-11H2/t13-,14-/m1/s1.
What are the key properties of (5R,6R)-6-fluoro-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane?
(5R,6R)-6-fluoro-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane has a molecular weight of 249.33 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-6-fluoro-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 98778577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).