2-propan-2-yl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane

C14H20N2O — CID 131655868

IUPAC2-propan-2-yl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2CCC1C2Oc1ccccn1
InChIInChI=1S/C14H20N2O/c1-10(2)16-9-11-6-7-12(16)14(11)17-13-5-3-4-8-15-13/h3-5,8,10-12,14H,6-7,9H2,1-2H3
InChIKeyKUNLZLVLSFDXPC-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.33
Rot. Bonds3

About 2-propan-2-yl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane

2-propan-2-yl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane (PubChem CID 131655868) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-propan-2-yl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-propan-2-yl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane
PubChem CID131655868
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-propan-2-yl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane
SMILESCC(C)N1CC2CCC1C2Oc1ccccn1
InChIInChI=1S/C14H20N2O/c1-10(2)16-9-11-6-7-12(16)14(11)17-13-5-3-4-8-15-13/h3-5,8,10-12,14H,6-7,9H2,1-2H3
InChIKeyKUNLZLVLSFDXPC-UHFFFAOYSA-N
XLogP2.33
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,4S,7R)-2-(1,3-benzodioxol-5-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane
CID 124827228
(3-methoxyphenyl)-[(1S,4R,7R)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 98750535
1-[(1S,4R,7S)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptan-2-yl]-2-thiophen-3-ylethanone
CID 98780388
2-(furan-3-ylmethyl)-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane;2,2,2-trifluoroacetic acid
CID 155825745
2-(1-tert-butylazetidin-3-yl)oxypyridine
CID 126954855
ethane;2-piperidin-4-yloxypyridine
CID 142889945
1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798593
ethane;2-(3-methylcyclobutyl)oxypyridine
CID 169213104
(3R,3aR,7aS)-1-ethylsulfonyl-3-pyridin-2-yloxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 133136608
methyl-(3-methyl-4-pyridin-2-yloxypyrrolidin-1-yl)-sulfanylidene-λ4-sulfane
CID 134557189
(1R,4S,7R)-7-methoxy-2-pyrimidin-2-yl-2-azabicyclo[2.2.1]heptane
CID 124799892
2-phenoxy-1-(4-pyridin-2-yloxypiperidin-1-yl)propan-1-one
CID 71798614

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-propan-2-yl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane (CID 131655868) is 2-propan-2-yl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-propan-2-yl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-propan-2-yl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane is CC(C)N1CC2CCC1C2Oc1ccccn1.
What is the InChIKey of 2-propan-2-yl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane?
The InChIKey is KUNLZLVLSFDXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)16-9-11-6-7-12(16)14(11)17-13-5-3-4-8-15-13/h3-5,8,10-12,14H,6-7,9H2,1-2H3.
What are the key properties of 2-propan-2-yl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane?
2-propan-2-yl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane has a molecular weight of 232.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7-pyridin-2-yloxy-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 131655868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).