2-(1,3-dioxolan-2-yl)-3-phenylmethoxy-6-(2-piperidin-1-ylethyl)pyridine

C22H28N2O3 — CID 169034687

IUPAC2-(1,3-dioxolan-2-yl)-3-phenylmethoxy-6-(2-piperidin-1-ylethyl)pyridine
SMILESc1ccc(COc2ccc(CCN3CCCCC3)nc2C2OCCO2)cc1
InChIInChI=1S/C22H28N2O3/c1-3-7-18(8-4-1)17-27-20-10-9-19(11-14-24-12-5-2-6-13-24)23-21(20)22-25-15-16-26-22/h1,3-4,7-10,22H,2,5-6,11-17H2
InChIKeyAAFKHQAZWBWRFE-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.73
Rot. Bonds7

About 2-(1,3-dioxolan-2-yl)-3-phenylmethoxy-6-(2-piperidin-1-ylethyl)pyridine

2-(1,3-dioxolan-2-yl)-3-phenylmethoxy-6-(2-piperidin-1-ylethyl)pyridine (PubChem CID 169034687) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-3-phenylmethoxy-6-(2-piperidin-1-ylethyl)pyridine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-3-phenylmethoxy-6-(2-piperidin-1-ylethyl)pyridine
PubChem CID169034687
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-(1,3-dioxolan-2-yl)-3-phenylmethoxy-6-(2-piperidin-1-ylethyl)pyridine
SMILESc1ccc(COc2ccc(CCN3CCCCC3)nc2C2OCCO2)cc1
InChIInChI=1S/C22H28N2O3/c1-3-7-18(8-4-1)17-27-20-10-9-19(11-14-24-12-5-2-6-13-24)23-21(20)22-25-15-16-26-22/h1,3-4,7-10,22H,2,5-6,11-17H2
InChIKeyAAFKHQAZWBWRFE-UHFFFAOYSA-N
XLogP3.73
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenylmethoxy-2-(2-pyrrolidin-1-ylethyl)-1H-pyridin-4-one
CID 15077302
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CID 170870322
4-benzyl-1-(2-phenylmethoxy-5-piperidin-1-ylphenyl)piperidine
CID 130451089
1-[2-(5,6-dimethoxy-2-pyridinyl)ethyl]-4-(3-phenylpropyl)piperazine
CID 155275362
4-chloro-2-(1,3-dioxolan-2-yl)-5-phenylmethoxyphenol
CID 57425044
4-[3-(2-phenylmethoxyphenyl)propyl]morpholine
CID 170869183
5-[2-(1,4-diazepan-1-yl)ethyl]-2-phenylmethoxyaniline
CID 82256290
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine;oxalic acid
CID 23724207
2,5-bis(phenylmethoxy)-N-(2-piperidin-1-ylethyl)benzamide
CID 139616736
4-[2-[2,4-bis(phenylmethoxy)phenoxy]ethyl]morpholine
CID 130178723
3-(2-piperidin-1-ylethyl)pyridazine
CID 154363673
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-3-phenylmethoxy-6-(2-piperidin-1-ylethyl)pyridine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-3-phenylmethoxy-6-(2-piperidin-1-ylethyl)pyridine (CID 169034687) is 2-(1,3-dioxolan-2-yl)-3-phenylmethoxy-6-(2-piperidin-1-ylethyl)pyridine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-3-phenylmethoxy-6-(2-piperidin-1-ylethyl)pyridine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-3-phenylmethoxy-6-(2-piperidin-1-ylethyl)pyridine is c1ccc(COc2ccc(CCN3CCCCC3)nc2C2OCCO2)cc1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-3-phenylmethoxy-6-(2-piperidin-1-ylethyl)pyridine?
The InChIKey is AAFKHQAZWBWRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-3-7-18(8-4-1)17-27-20-10-9-19(11-14-24-12-5-2-6-13-24)23-21(20)22-25-15-16-26-22/h1,3-4,7-10,22H,2,5-6,11-17H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-3-phenylmethoxy-6-(2-piperidin-1-ylethyl)pyridine?
2-(1,3-dioxolan-2-yl)-3-phenylmethoxy-6-(2-piperidin-1-ylethyl)pyridine has a molecular weight of 368.48 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-3-phenylmethoxy-6-(2-piperidin-1-ylethyl)pyridine is sourced from PubChem (CID 169034687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).