1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine

C20H27NO2 — CID 54470144

IUPAC1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine
SMILESC1=C(c2ccccc2)CCN(CC2COC3(CCCCC3)O2)C1
InChIInChI=1S/C20H27NO2/c1-3-7-17(8-4-1)18-9-13-21(14-10-18)15-19-16-22-20(23-19)11-5-2-6-12-20/h1,3-4,7-9,19H,2,5-6,10-16H2
InChIKeyXHTJXIUVBWOCRM-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.85
Rot. Bonds3

About 1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine

1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine (PubChem CID 54470144) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine
PubChem CID54470144
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine
SMILESC1=C(c2ccccc2)CCN(CC2COC3(CCCCC3)O2)C1
InChIInChI=1S/C20H27NO2/c1-3-7-17(8-4-1)18-9-13-21(14-10-18)15-19-16-22-20(23-19)11-5-2-6-12-20/h1,3-4,7-9,19H,2,5-6,10-16H2
InChIKeyXHTJXIUVBWOCRM-UHFFFAOYSA-N
XLogP3.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine with MolForge

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Related Compounds

1-[[(3S)-1,4-dioxaspiro[4.4]nonan-3-yl]methyl]-4-phenylpiperazine
CID 10225976
1-(1,4-dioxaspiro[4.11]hexadecan-3-ylmethyl)piperidine
CID 2832845
(2S)-3-[[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2-phenyl-1,3-oxazolidine
CID 7350920
2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclohexan-1-one
CID 10015917
[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]methanol
CID 62019901
1-[[(1R)-3-(2-methylphenyl)cyclohex-2-en-1-yl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine
CID 15294407
2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanamine;hydrochloride
CID 131711213
[4-(1,4-dioxaspiro[4.5]decan-3-ylmethoxy)phenyl]-diphenylsulfanium
CID 140699184
(3S)-3-ethyl-1,4-dioxaspiro[4.5]decane
CID 129156956
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-2-phenoxyethanamine
CID 10880840
1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)piperidin-4-yl]-N-methylmethanamine
CID 55176251
1-[1-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl)azetidin-3-yl]piperazine
CID 66195421

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine (CID 54470144) is 1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine is C1=C(c2ccccc2)CCN(CC2COC3(CCCCC3)O2)C1.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine?
The InChIKey is XHTJXIUVBWOCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-3-7-17(8-4-1)18-9-13-21(14-10-18)15-19-16-22-20(23-19)11-5-2-6-12-20/h1,3-4,7-9,19H,2,5-6,10-16H2.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine?
1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine has a molecular weight of 313.44 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-4-phenyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 54470144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).