1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine

C17H25N3O2 — CID 10979611

IUPAC1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine
SMILESc1ccc(N2CCN(C3CCC4(CC3)OCCO4)CC2)nc1
InChIInChI=1S/C17H25N3O2/c1-2-8-18-16(3-1)20-11-9-19(10-12-20)15-4-6-17(7-5-15)21-13-14-22-17/h1-3,8,15H,4-7,9-14H2
InChIKeyWDEHSFXXIIPABU-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.89
Rot. Bonds2

About 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine

1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine (PubChem CID 10979611) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine
PubChem CID10979611
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine
SMILESc1ccc(N2CCN(C3CCC4(CC3)OCCO4)CC2)nc1
InChIInChI=1S/C17H25N3O2/c1-2-8-18-16(3-1)20-11-9-19(10-12-20)15-4-6-17(7-5-15)21-13-14-22-17/h1-3,8,15H,4-7,9-14H2
InChIKeyWDEHSFXXIIPABU-UHFFFAOYSA-N
XLogP1.89
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(Oxan-2-ylmethoxy)piperidin-1-yl]pyridine
CID 71861490
N-methyl-N-(oxan-4-ylmethyl)-1-pyridin-2-ylpiperidin-3-amine
CID 118740044
6-(1,4-Dioxaspiro[4.5]decan-8-ylamino)pyridine-3-carbonitrile
CID 47054433
1-[1-[[(2R)-oxan-2-yl]methyl]piperidin-4-yl]-4-pyridin-2-ylpiperazine
CID 124844237
8-(3-Fluoropyridin-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 59216368
(1S,2R,7S)-4,4-dimethyl-9-pyridin-2-yl-3,5,8-trioxa-9-azatricyclo[5.2.2.02,6]undec-10-ene
CID 164668526
(7S)-4,4-dimethyl-9-pyridin-2-yl-3,5,8-trioxa-9-azatricyclo[5.2.2.02,6]undec-10-ene
CID 166449193
3-Fluoro-2-[4-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]pyridine
CID 75429715
8-(5-Fluoro-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 79005939
N-(1,4-dioxaspiro[4.5]decan-8-yl)-5-fluoro-N-methylpyridin-2-amine
CID 79119616
N-(1,4-dioxaspiro[4.5]decan-8-yl)-3-fluoro-N-methylpyridin-2-amine
CID 79120439
9-(3-Fluoro-2-pyridinyl)-1,4-dioxa-9-azaspiro[4.5]decane
CID 81715949

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine (CID 10979611) is 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine is c1ccc(N2CCN(C3CCC4(CC3)OCCO4)CC2)nc1.
What is the InChIKey of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine?
The InChIKey is WDEHSFXXIIPABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-2-8-18-16(3-1)20-11-9-19(10-12-20)15-4-6-17(7-5-15)21-13-14-22-17/h1-3,8,15H,4-7,9-14H2.
What are the key properties of 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine?
1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine has a molecular weight of 303.41 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxaspiro[4.5]decan-8-yl)-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 10979611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).