2-chloro-6-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine

C16H23ClN2O2S — CID 110185794

IUPAC2-chloro-6-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine
SMILESClc1cccc(SC2CCN(CCC3OCCCO3)CC2)n1
InChIInChI=1S/C16H23ClN2O2S/c17-14-3-1-4-15(18-14)22-13-5-8-19(9-6-13)10-7-16-20-11-2-12-21-16/h1,3-4,13,16H,2,5-12H2
InChIKeyZLMCFPURYHAXFJ-UHFFFAOYSA-N
MW342.89 g/mol
LogP3.44
Rot. Bonds5

About 2-chloro-6-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine

2-chloro-6-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine (PubChem CID 110185794) has the molecular formula C16H23ClN2O2S and a molecular weight of 342.89 g/mol. Its IUPAC name is 2-chloro-6-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine.

Molecular Properties

Compound Name2-chloro-6-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine
PubChem CID110185794
Molecular FormulaC16H23ClN2O2S
Molecular Weight342.89 g/mol
Exact Mass342.12
IUPAC Name2-chloro-6-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine
SMILESClc1cccc(SC2CCN(CCC3OCCCO3)CC2)n1
InChIInChI=1S/C16H23ClN2O2S/c17-14-3-1-4-15(18-14)22-13-5-8-19(9-6-13)10-7-16-20-11-2-12-21-16/h1,3-4,13,16H,2,5-12H2
InChIKeyZLMCFPURYHAXFJ-UHFFFAOYSA-N
XLogP3.44
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

Fopirtoline
CID 65704
Fopirtolina
CID 3029365
2-Chloro-6-[1-(3-fluoropropyl)piperidin-4-yl]sulfanylpyridine
CID 13563988
2-Chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine
CID 4123113
2-Chloro-6-(1-methylpiperidin-4-yl)sulfanylpyridine;hydrochloride
CID 13563946
2-Chloro-6-(1-prop-2-enylpiperidin-4-yl)sulfanylpyridine
CID 13563971
2-[4-[(6-Chloro-2-pyridinyl)sulfanyl]piperidin-1-yl]ethanol
CID 13563973
2-Chloro-6-(1-propylpiperidin-4-yl)sulfanylpyridine
CID 13563976
2-Chloro-6-(1-hexylpiperidin-4-yl)sulfanylpyridine
CID 13563980
2-Chloro-6-(1-ethylpiperidin-4-yl)sulfanylpyridine
CID 13563982
3-[4-[(6-chloro-2-pyridinyl)sulfanyl]piperidin-1-yl]-N,N-dimethylpropan-1-amine
CID 13563990
2-Chloro-6-(1-cyclohexylpiperidin-4-yl)sulfanylpyridine
CID 13563992

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine?
The IUPAC name of 2-chloro-6-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine (CID 110185794) is 2-chloro-6-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine.
What is the SMILES notation for 2-chloro-6-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine?
The canonical SMILES for 2-chloro-6-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine is Clc1cccc(SC2CCN(CCC3OCCCO3)CC2)n1.
What is the InChIKey of 2-chloro-6-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine?
The InChIKey is ZLMCFPURYHAXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2S/c17-14-3-1-4-15(18-14)22-13-5-8-19(9-6-13)10-7-16-20-11-2-12-21-16/h1,3-4,13,16H,2,5-12H2.
What are the key properties of 2-chloro-6-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine?
2-chloro-6-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine has a molecular weight of 342.89 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[1-[2-(1,3-dioxan-2-yl)ethyl]piperidin-4-yl]sulfanylpyridine is sourced from PubChem (CID 110185794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).