6-[phenoxy(pyridin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane

C17H18N2O — CID 91299914

IUPAC6-[phenoxy(pyridin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESc1ccc(OC(c2cccnc2)C2C3CNCC32)cc1
InChIInChI=1S/C17H18N2O/c1-2-6-13(7-3-1)20-17(12-5-4-8-18-9-12)16-14-10-19-11-15(14)16/h1-9,14-17,19H,10-11H2
InChIKeyPHFSLSIOKBJWHU-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.67
Rot. Bonds4

About 6-[phenoxy(pyridin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane

6-[phenoxy(pyridin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 91299914) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-[phenoxy(pyridin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-[phenoxy(pyridin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID91299914
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name6-[phenoxy(pyridin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane
SMILESc1ccc(OC(c2cccnc2)C2C3CNCC32)cc1
InChIInChI=1S/C17H18N2O/c1-2-6-13(7-3-1)20-17(12-5-4-8-18-9-12)16-14-10-19-11-15(14)16/h1-9,14-17,19H,10-11H2
InChIKeyPHFSLSIOKBJWHU-UHFFFAOYSA-N
XLogP2.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-phenoxypropyl)pyridine
CID 57251428
N-[(1S)-1-pyridin-3-ylethyl]azetidin-3-amine
CID 81406806
3-[(R)-(2,6-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 66754036
3-[[(3R)-pyrrolidin-3-yl]-(2,4,6-trifluorophenoxy)methyl]pyridine
CID 66752414
(2S)-2-[phenoxy(phenyl)methyl]morpholine
CID 68539153
2-[morpholin-2-yl(pyridin-3-yl)methoxy]benzonitrile
CID 11558425
(2R)-2-[(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine
CID 59166891
2-[(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine
CID 11616643
2-(azetidin-3-ylamino)-2-pyridin-3-ylacetonitrile
CID 121209893
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
3-[(S)-(4-chloro-2,6-difluorophenoxy)-pyrrolidin-3-ylmethyl]pyridine
CID 66752357
2-pyridin-3-yl-2-pyridin-4-yloxyacetic acid
CID 22714112

Frequently Asked Questions

What is the IUPAC name of 6-[phenoxy(pyridin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6-[phenoxy(pyridin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane (CID 91299914) is 6-[phenoxy(pyridin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6-[phenoxy(pyridin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6-[phenoxy(pyridin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane is c1ccc(OC(c2cccnc2)C2C3CNCC32)cc1.
What is the InChIKey of 6-[phenoxy(pyridin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is PHFSLSIOKBJWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-6-13(7-3-1)20-17(12-5-4-8-18-9-12)16-14-10-19-11-15(14)16/h1-9,14-17,19H,10-11H2.
What are the key properties of 6-[phenoxy(pyridin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane?
6-[phenoxy(pyridin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 266.34 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[phenoxy(pyridin-3-yl)methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 91299914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).