[2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine

C14H20FN3O2 — CID 105258737

IUPAC[2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
SMILESNNC(c1ccncc1F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H20FN3O2/c15-12-8-17-4-1-11(12)13(18-16)10-2-5-20-14(7-10)3-6-19-9-14/h1,4,8,10,13,18H,2-3,5-7,9,16H2
InChIKeyDBCVQZQKXUSBQR-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.31
Rot. Bonds3

About [2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine

[2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine (PubChem CID 105258737) has the molecular formula C14H20FN3O2 and a molecular weight of 281.33 g/mol. Its IUPAC name is [2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
PubChem CID105258737
Molecular FormulaC14H20FN3O2
Molecular Weight281.33 g/mol
Exact Mass281.15
IUPAC Name[2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
SMILESNNC(c1ccncc1F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C14H20FN3O2/c15-12-8-17-4-1-11(12)13(18-16)10-2-5-20-14(7-10)3-6-19-9-14/h1,4,8,10,13,18H,2-3,5-7,9,16H2
InChIKeyDBCVQZQKXUSBQR-UHFFFAOYSA-N
XLogP1.31
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3-chloro-4-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105323264
[1,9-dioxaspiro[5.5]undecan-4-yl-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105279773
[(4-methyl-3-pyridinyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105279930
[(5-chlorofuran-2-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106694620
[(2,4-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325558
[(3-chloro-4-pyridinyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methyl]hydrazine
CID 105326042
4-[1,9-dioxaspiro[5.5]undecan-4-yl(hydrazinyl)methyl]-1H-pyrazol-5-amine
CID 105231085
[2,6-dioxaspiro[4.5]decan-9-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105325620
[(2,5-dichlorothiophen-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 107970487
[(2-chloro-4-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 106860109
[(3-chloro-2-pyridinyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 103445920
[(2-bromo-5-methylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105325647

Frequently Asked Questions

What is the IUPAC name of [2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine?
The IUPAC name of [2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine (CID 105258737) is [2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine?
The canonical SMILES for [2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine is NNC(c1ccncc1F)C1CCOC2(CCOC2)C1.
What is the InChIKey of [2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine?
The InChIKey is DBCVQZQKXUSBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O2/c15-12-8-17-4-1-11(12)13(18-16)10-2-5-20-14(7-10)3-6-19-9-14/h1,4,8,10,13,18H,2-3,5-7,9,16H2.
What are the key properties of [2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine?
[2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine has a molecular weight of 281.33 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dioxaspiro[4.5]decan-9-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105258737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).