3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine

C17H26N2O3 — CID 171909488

IUPAC3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine
SMILESc1cncc(COC2CCN(CCC3OCCCO3)CC2)c1
InChIInChI=1S/C17H26N2O3/c1-3-15(13-18-7-1)14-22-16-4-8-19(9-5-16)10-6-17-20-11-2-12-21-17/h1,3,7,13,16-17H,2,4-6,8-12,14H2
InChIKeyPIKSGLGTKAEGFU-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.22
Rot. Bonds6

About 3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine

3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine (PubChem CID 171909488) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine.

Molecular Properties

Compound Name3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine
PubChem CID171909488
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine
SMILESc1cncc(COC2CCN(CCC3OCCCO3)CC2)c1
InChIInChI=1S/C17H26N2O3/c1-3-15(13-18-7-1)14-22-16-4-8-19(9-5-16)10-6-17-20-11-2-12-21-17/h1,3,7,13,16-17H,2,4-6,8-12,14H2
InChIKeyPIKSGLGTKAEGFU-UHFFFAOYSA-N
XLogP2.22
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 131932704
N-(2,5-dimethylphenyl)-3-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propanamide
CID 50966390
3-[(4-methylcyclohexyl)oxymethyl]pyridine
CID 142207375
3-fluoro-4-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]pyridine
CID 72908403
3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 56886815
(2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131927908
2-[2-[[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 77080998
2,1,3-benzoxadiazol-5-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70763307
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
3-(4-methylpiperazin-1-yl)-1-[3-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 90648429
(5-phenyl-1,2-oxazol-3-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70742097
2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine
CID 95725231

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine?
The IUPAC name of 3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine (CID 171909488) is 3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine.
What is the SMILES notation for 3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine?
The canonical SMILES for 3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine is c1cncc(COC2CCN(CCC3OCCCO3)CC2)c1.
What is the InChIKey of 3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine?
The InChIKey is PIKSGLGTKAEGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-15(13-18-7-1)14-22-16-4-8-19(9-5-16)10-6-17-20-11-2-12-21-17/h1,3,7,13,16-17H,2,4-6,8-12,14H2.
What are the key properties of 3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine?
3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine has a molecular weight of 306.41 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]oxymethyl]pyridine is sourced from PubChem (CID 171909488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).