4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine

C18H22N2O — CID 154880827

IUPAC4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine
SMILESCC(C)CN1CC1COc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C18H22N2O/c1-14(2)11-20-12-17(20)13-21-18-5-3-15(4-6-18)16-7-9-19-10-8-16/h3-10,14,17H,11-13H2,1-2H3
InChIKeyASBPUPDEKPQWBX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.47
Rot. Bonds6

About 4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine

4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine (PubChem CID 154880827) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine.

Molecular Properties

Compound Name4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine
PubChem CID154880827
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine
SMILESCC(C)CN1CC1COc1ccc(-c2ccncc2)cc1
InChIInChI=1S/C18H22N2O/c1-14(2)11-20-12-17(20)13-21-18-5-3-15(4-6-18)16-7-9-19-10-8-16/h3-10,14,17H,11-13H2,1-2H3
InChIKeyASBPUPDEKPQWBX-UHFFFAOYSA-N
XLogP3.47
TPSA25.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
CID 127928
4-[2-(4-Methoxy-phenyl)-vinyl]-pyridine
CID 735606
(3-Pyridylmethylene)indane 19a
CID 6539773
3-{[(1Z)-5-ethoxy-2,3-dihydro-1H-inden-1-ylidene]methyl}pyridine
CID 6539774
4-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539798
(4-Pyridylmethylene)tetrahydronaphthalene 14b
CID 6539799
3-(5-Methoxy-1H-inden-2-yl)pyridine
CID 6540048
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenyl-pyridine
CID 9840916
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine?
The IUPAC name of 4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine (CID 154880827) is 4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine.
What is the SMILES notation for 4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine?
The canonical SMILES for 4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine is CC(C)CN1CC1COc1ccc(-c2ccncc2)cc1.
What is the InChIKey of 4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine?
The InChIKey is ASBPUPDEKPQWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(2)11-20-12-17(20)13-21-18-5-3-15(4-6-18)16-7-9-19-10-8-16/h3-10,14,17H,11-13H2,1-2H3.
What are the key properties of 4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine?
4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine has a molecular weight of 282.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(2-methylpropyl)aziridin-2-yl]methoxy]phenyl]pyridine is sourced from PubChem (CID 154880827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).