2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine

C17H24N2O2 — CID 70717623

IUPAC2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine
SMILESc1ccc(C2CN(C3CCOC4(CCOCC4)C3)C2)nc1
InChIInChI=1S/C17H24N2O2/c1-2-7-18-16(3-1)14-12-19(13-14)15-4-8-21-17(11-15)5-9-20-10-6-17/h1-3,7,14-15H,4-6,8-13H2
InChIKeyQYUVAUAQIAMGTQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.21
Rot. Bonds2

About 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine

2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine (PubChem CID 70717623) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine.

Molecular Properties

Compound Name2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine
PubChem CID70717623
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine
SMILESc1ccc(C2CN(C3CCOC4(CCOCC4)C3)C2)nc1
InChIInChI=1S/C17H24N2O2/c1-2-7-18-16(3-1)14-12-19(13-14)15-4-8-21-17(11-15)5-9-20-10-6-17/h1-3,7,14-15H,4-6,8-13H2
InChIKeyQYUVAUAQIAMGTQ-UHFFFAOYSA-N
XLogP2.21
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-ol
CID 79920646
2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine
CID 95841777
2-(6-oxaspiro[4.6]undecan-10-yl)pyridine
CID 166663519
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 79901731
(3R)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrrolidin-3-ol
CID 79920363
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-pyridin-2-ylpropan-1-amine
CID 105167578
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine
CID 79903246
4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1-phenyltriazole
CID 154821785
2-ethoxy-1-[(4R)-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462380
N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 70775278
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 79894133
5-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-2-(2-methylphenyl)pyrimidine
CID 154818731

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine?
The IUPAC name of 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine (CID 70717623) is 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine.
What is the SMILES notation for 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine?
The canonical SMILES for 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine is c1ccc(C2CN(C3CCOC4(CCOCC4)C3)C2)nc1.
What is the InChIKey of 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine?
The InChIKey is QYUVAUAQIAMGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-7-18-16(3-1)14-12-19(13-14)15-4-8-21-17(11-15)5-9-20-10-6-17/h1-3,7,14-15H,4-6,8-13H2.
What are the key properties of 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine?
2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine has a molecular weight of 288.39 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)azetidin-3-yl]pyridine is sourced from PubChem (CID 70717623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).