6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C22H29N3O3 — CID 153376694

IUPAC6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc(O[C@H]2CCN(C(C)c3ccc4c(n3)OCCO4)C[C@H]2C)cc(C)n1
InChIInChI=1S/C22H29N3O3/c1-14-13-25(8-7-20(14)28-18-11-15(2)23-16(3)12-18)17(4)19-5-6-21-22(24-19)27-10-9-26-21/h5-6,11-12,14,17,20H,7-10,13H2,1-4H3/t14-,17?,20+/m1/s1
InChIKeyJJNVQOOJACWVHL-PHXNHOCBSA-N
MW383.49 g/mol
LogP3.72
Rot. Bonds4

About 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 153376694) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID153376694
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc(O[C@H]2CCN(C(C)c3ccc4c(n3)OCCO4)C[C@H]2C)cc(C)n1
InChIInChI=1S/C22H29N3O3/c1-14-13-25(8-7-20(14)28-18-11-15(2)23-16(3)12-18)17(4)19-5-6-21-22(24-19)27-10-9-26-21/h5-6,11-12,14,17,20H,7-10,13H2,1-4H3/t14-,17?,20+/m1/s1
InChIKeyJJNVQOOJACWVHL-PHXNHOCBSA-N
XLogP3.72
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine with MolForge

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Related Compounds

6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 166727421
6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287149
6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162468296
6-[1-[4-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287165
6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162464304
6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146283730
6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 166727424
6-[1-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287056
[(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane
CID 162070897
6-[1-[3-[[2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146286208
N-[[(3S)-1-[(1R)-1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methyl]-2-methoxy-6-methylpyridin-4-amine;N-[[(3S)-1-[(1S)-1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methyl]-2-methoxy-6-methylpyridin-4-amine;N-[[(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methyl]-2-methoxy-6-methylpyridin-4-amine;sulfane
CID 160878735
6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162464297

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 153376694) is 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is Cc1cc(O[C@H]2CCN(C(C)c3ccc4c(n3)OCCO4)C[C@H]2C)cc(C)n1.
What is the InChIKey of 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is JJNVQOOJACWVHL-PHXNHOCBSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-14-13-25(8-7-20(14)28-18-11-15(2)23-16(3)12-18)17(4)19-5-6-21-22(24-19)27-10-9-26-21/h5-6,11-12,14,17,20H,7-10,13H2,1-4H3/t14-,17?,20+/m1/s1.
What are the key properties of 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 383.49 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 153376694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).