4-[(4-methyl-3-pyridinyl)oxy]-1-azatricyclo[3.3.1.13,7]decane;hydrochloride

C15H21ClN2O — CID 86621376

IUPAC4-[(4-methyl-3-pyridinyl)oxy]-1-azatricyclo[3.3.1.13,7]decane;hydrochloride
SMILESCc1ccncc1OC1C2CC3CC1CN(C3)C2.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-10-2-3-16-6-14(10)18-15-12-4-11-5-13(15)9-17(7-11)8-12;/h2-3,6,11-13,15H,4-5,7-9H2,1H3;1H
InChIKeyTUPPFERWPGPSBG-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.53
Rot. Bonds2

About 4-[(4-methyl-3-pyridinyl)oxy]-1-azatricyclo[3.3.1.13,7]decane;hydrochloride

4-[(4-methyl-3-pyridinyl)oxy]-1-azatricyclo[3.3.1.13,7]decane;hydrochloride (PubChem CID 86621376) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 4-[(4-methyl-3-pyridinyl)oxy]-1-azatricyclo[3.3.1.13,7]decane;hydrochloride.

Molecular Properties

Compound Name4-[(4-methyl-3-pyridinyl)oxy]-1-azatricyclo[3.3.1.13,7]decane;hydrochloride
PubChem CID86621376
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name4-[(4-methyl-3-pyridinyl)oxy]-1-azatricyclo[3.3.1.13,7]decane;hydrochloride
SMILESCc1ccncc1OC1C2CC3CC1CN(C3)C2.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-10-2-3-16-6-14(10)18-15-12-4-11-5-13(15)9-17(7-11)8-12;/h2-3,6,11-13,15H,4-5,7-9H2,1H3;1H
InChIKeyTUPPFERWPGPSBG-UHFFFAOYSA-N
XLogP2.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[4-[(4-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 67480242
2-(1-azatricyclo[3.3.1.13,7]decan-4-yloxy)-5-phenyl-1,3,4-thiadiazole;hydrate
CID 140595926
3-(1,4-dioxan-2-ylmethoxy)-4-methylpyridine
CID 175366959
1-[(4-methyl-3-pyridinyl)oxymethyl]cyclopropan-1-amine
CID 164888263
ethane;4-ethoxy-3-methylpyridine
CID 177233068
N-(5-bromo-3-pyridinyl)-1-azatricyclo[3.3.1.13,7]decan-4-amine;dihydrochloride
CID 68805041
6-(1-azatricyclo[3.3.1.13,7]decan-4-yl)-5-pyridin-4-ylpyridine-3-carboxylic acid
CID 70495458
(4-methyl-3-pyridinyl) propanoate
CID 175779158
3,5-dimethyl-1-(4-methyl-3-pyridinyl)piperazine
CID 66273910
3-(2-methylphenoxy)-1-azabicyclo[3.2.1]octane
CID 20679128
2-cyclopropyl-1-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethanone
CID 155800227
azane;3-(3,3-dimethylbutoxy)-4-methylpyridine
CID 175027935

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-3-pyridinyl)oxy]-1-azatricyclo[3.3.1.13,7]decane;hydrochloride?
The IUPAC name of 4-[(4-methyl-3-pyridinyl)oxy]-1-azatricyclo[3.3.1.13,7]decane;hydrochloride (CID 86621376) is 4-[(4-methyl-3-pyridinyl)oxy]-1-azatricyclo[3.3.1.13,7]decane;hydrochloride.
What is the SMILES notation for 4-[(4-methyl-3-pyridinyl)oxy]-1-azatricyclo[3.3.1.13,7]decane;hydrochloride?
The canonical SMILES for 4-[(4-methyl-3-pyridinyl)oxy]-1-azatricyclo[3.3.1.13,7]decane;hydrochloride is Cc1ccncc1OC1C2CC3CC1CN(C3)C2.Cl.
What is the InChIKey of 4-[(4-methyl-3-pyridinyl)oxy]-1-azatricyclo[3.3.1.13,7]decane;hydrochloride?
The InChIKey is TUPPFERWPGPSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.ClH/c1-10-2-3-16-6-14(10)18-15-12-4-11-5-13(15)9-17(7-11)8-12;/h2-3,6,11-13,15H,4-5,7-9H2,1H3;1H.
What are the key properties of 4-[(4-methyl-3-pyridinyl)oxy]-1-azatricyclo[3.3.1.13,7]decane;hydrochloride?
4-[(4-methyl-3-pyridinyl)oxy]-1-azatricyclo[3.3.1.13,7]decane;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-3-pyridinyl)oxy]-1-azatricyclo[3.3.1.13,7]decane;hydrochloride is sourced from PubChem (CID 86621376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).